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CAT: 0926-ZPC11753-02Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-ZPC11753-02Size:0.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1624117-53-8
MDL Number
MFCD28397755
Smiles
C1CCN (C1) C (=O) CNC (=O) NC2=CC3=CC=CC=C3C=C2
Molecular Formula
C17H19N3O2
Molecular Weight
297.35 g/mol
Controlled
No

Chemical Information

1-(Naphthalen-2-yl)-3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)urea
CAS Number1624117-53-8
PubChem CID78871801
IUPAC Name1-naphthalen-2-yl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
Molecular FormulaC17H19N3O2
Molecular Weight297.35
XLogP2.2
Topological Polar Surface Area61.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity407
SMILES
C1CCN(C1)C(=O)CNC(=O)NC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C17H19N3O2/c21-16(20-9-3-4-10-20)12-18-17(22)19-15-8-7-13-5-1-2-6-14(13)11-15/h1-2,5-8,11H,3-4,9-10,12H2,(H2,18,19,22)
InChIKey
GSQHGSRPQHBTTP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(Naphthalen-2-yl)-3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)urea
CAS: 1624117-53-8
CID: 78871801
Formula: C17H19N3O2
MW: 297.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight297.35
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass297.147726857
Monoisotopic Mass297.147726857
Topological Polar Surface Area61.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity407
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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