(3R)-N-cyano-3-methylpentanamide

C7H12N2O — CID 153396008

IUPAC(3R)-N-cyano-3-methylpentanamide
SMILESCC[C@@H](C)CC(=O)NC#N
InChIInChI=1S/C7H12N2O/c1-3-6(2)4-7(10)9-5-8/h6H,3-4H2,1-2H3,(H,9,10)/t6-/m1/s1
InChIKeyHWVJPXQBKSVHQB-ZCFIWIBFSA-N
MW140.19 g/mol
LogP1.02
Rot. Bonds3

About (3R)-N-cyano-3-methylpentanamide

(3R)-N-cyano-3-methylpentanamide (PubChem CID 153396008) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (3R)-N-cyano-3-methylpentanamide.

Molecular Properties

Compound Name(3R)-N-cyano-3-methylpentanamide
PubChem CID153396008
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(3R)-N-cyano-3-methylpentanamide
SMILESCC[C@@H](C)CC(=O)NC#N
InChIInChI=1S/C7H12N2O/c1-3-6(2)4-7(10)9-5-8/h6H,3-4H2,1-2H3,(H,9,10)/t6-/m1/s1
InChIKeyHWVJPXQBKSVHQB-ZCFIWIBFSA-N
XLogP1.02
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

N-cyanohexanamide
CID 15100145
N-cyanopentanamide
CID 57250959
N-cyano-3-methylbutanamide
CID 58439458
N-cyano-4-methylpentanamide
CID 79193781
N-cyano-2-ethylbutanamide
CID 79195184
N-cyano-2-methylpentanamide
CID 79195283
N-cyano-2-methylbutanamide
CID 79203997
N-cyano-(ethylvaleramidate)
CID 86745198
N,N'-dicyano-2-ethylbutanediamide
CID 139670353
N-cyano-2,3-dimethylcyclopropane-1-carboxamide
CID 163844316
N-cyanocyclopentanecarboxamide
CID 45084055
N-cyano-2,3-dimethylbutanamide
CID 79193771

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyano-3-methylpentanamide?
The IUPAC name of (3R)-N-cyano-3-methylpentanamide (CID 153396008) is (3R)-N-cyano-3-methylpentanamide.
What is the SMILES notation for (3R)-N-cyano-3-methylpentanamide?
The canonical SMILES for (3R)-N-cyano-3-methylpentanamide is CC[C@@H](C)CC(=O)NC#N.
What is the InChIKey of (3R)-N-cyano-3-methylpentanamide?
The InChIKey is HWVJPXQBKSVHQB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-6(2)4-7(10)9-5-8/h6H,3-4H2,1-2H3,(H,9,10)/t6-/m1/s1.
What are the key properties of (3R)-N-cyano-3-methylpentanamide?
(3R)-N-cyano-3-methylpentanamide has a molecular weight of 140.19 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyano-3-methylpentanamide is sourced from PubChem (CID 153396008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).