N-Cyclopentyl-3-methoxypropanamide

CAT: 0926-TDC81079-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-TDC81079-01Size:50 mg

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CAS Number

1343810-79-6

MDL Number

MFCD20360089

Smiles

COCCC (=O) NC1CCCC1

Molecular Formula

C9H17NO2

Molecular Weight

171.2 g/mol

Controlled

Chemical Information

N-cyclopentyl-3-methoxypropanamide

CAS Number	1343810-79-6
PubChem CID	62947718
IUPAC Name	N-cyclopentyl-3-methoxypropanamide
Molecular Formula	C9H17NO2
Molecular Weight	171.24
XLogP	0.6
Topological Polar Surface Area	38.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	12
Formal Charge	0
Complexity	141

SMILES

COCCC(=O)NC1CCCC1

InChI

InChI=1S/C9H17NO2/c1-12-7-6-9(11)10-8-4-2-3-5-8/h8H,2-7H2,1H3,(H,10,11)

InChIKey

RQYGHUVAVDHACS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1343810-79-6

CID: 62947718

Formula: C9H17NO2

MW: 171.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	171.24
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	171.125928785
Monoisotopic Mass	171.125928785
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	141
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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