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N-Cyanopyrrolidine

CAT: 0926-FC67509-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-FC67509-01Size:10 g
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CAS Number
1530-88-7
Synonyms
Pyrrolidine-1-carbonitrile
MDL Number
MFCD00003165
Smiles
C1CCN (C1) C#N
Molecular Formula
C5H8N2
Molecular Weight
96.13 g/mol
Controlled
No

Chemical Information

Pyrrolidine-1-carbonitrile

Pyrrolidine-1-carbonitrile is a member of pyrrolidines.

CAS Number1530-88-7
PubChem CID73737
IUPAC Namepyrrolidine-1-carbonitrile
Molecular FormulaC5H8N2
Molecular Weight96.13
XLogP1
Topological Polar Surface Area27
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity93
SMILES
C1CCN(C1)C#N
InChI
InChI=1S/C5H8N2/c6-5-7-3-1-2-4-7/h1-4H2
InChIKey
QJRYYOWARFCJQZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyrrolidine-1-carbonitrile
CAS: 1530-88-7
CID: 73737
Formula: C5H8N2
MW: 96.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight96.13
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass96.068748264
Monoisotopic Mass96.068748264
Topological Polar Surface Area27 Ų
Heavy Atom Count7
Formal Charge0
Complexity93.9
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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