N-(cyanomethyl)-2-cyclopentylacetamide

C9H14N2O — CID 60896119

IUPACN-(cyanomethyl)-2-cyclopentylacetamide
SMILESN#CCNC(=O)CC1CCCC1
InChIInChI=1S/C9H14N2O/c10-5-6-11-9(12)7-8-3-1-2-4-8/h8H,1-4,6-7H2,(H,11,12)
InChIKeyRQDUWCXYKOGZQY-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.21
Rot. Bonds3

About N-(cyanomethyl)-2-cyclopentylacetamide

N-(cyanomethyl)-2-cyclopentylacetamide (PubChem CID 60896119) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-(cyanomethyl)-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-cyclopentylacetamide
PubChem CID60896119
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-(cyanomethyl)-2-cyclopentylacetamide
SMILESN#CCNC(=O)CC1CCCC1
InChIInChI=1S/C9H14N2O/c10-5-6-11-9(12)7-8-3-1-2-4-8/h8H,1-4,6-7H2,(H,11,12)
InChIKeyRQDUWCXYKOGZQY-UHFFFAOYSA-N
XLogP1.21
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-but-2-ynyl-2-cyclopentylacetamide
CID 130621524
2-cyano-N-[3-[(2-cyclohexylacetyl)amino]propyl]acetamide
CID 108924398
N-(cyanomethyl)-2-(cyclopropylmethylamino)acetamide
CID 28566856
methyl 2-[(2-cyclohexylacetyl)amino]acetate
CID 43404765
N-(4-cyanobutyl)-2-cyclobutylacetamide
CID 103707324
N-(cyanomethyl)-2-(cyclohexylamino)acetamide
CID 28565070
N-(1-cyanopropan-2-yl)-2-cyclohexylacetamide
CID 62089580
2-cyclopentyl-N-(2-hydroxypropyl)acetamide
CID 60654176
3-(cyanomethylamino)-2-(cyclohexylmethyl)-3-oxopropanoic acid
CID 87850180
2-cycloheptyl-N-[(2S)-2-hydroxypropyl]acetamide
CID 103884693
N-(2-cyanobutan-2-yl)-2-cyclopentylacetamide
CID 61119984
N-(3-cyanopentan-3-yl)-2-cyclohexylacetamide
CID 61120227

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-cyclopentylacetamide?
The IUPAC name of N-(cyanomethyl)-2-cyclopentylacetamide (CID 60896119) is N-(cyanomethyl)-2-cyclopentylacetamide.
What is the SMILES notation for N-(cyanomethyl)-2-cyclopentylacetamide?
The canonical SMILES for N-(cyanomethyl)-2-cyclopentylacetamide is N#CCNC(=O)CC1CCCC1.
What is the InChIKey of N-(cyanomethyl)-2-cyclopentylacetamide?
The InChIKey is RQDUWCXYKOGZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c10-5-6-11-9(12)7-8-3-1-2-4-8/h8H,1-4,6-7H2,(H,11,12).
What are the key properties of N-(cyanomethyl)-2-cyclopentylacetamide?
N-(cyanomethyl)-2-cyclopentylacetamide has a molecular weight of 166.22 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-cyclopentylacetamide is sourced from PubChem (CID 60896119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).