6-cyanohexanamide

C7H12N2O — CID 14472479

IUPAC6-cyanohexanamide
SMILESN#CCCCCCC(N)=O
InChIInChI=1S/C7H12N2O/c8-6-4-2-1-3-5-7(9)10/h1-5H2,(H2,9,10)
InChIKeyMLILJPBNPPVVSA-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.95
Rot. Bonds5

About 6-cyanohexanamide

6-cyanohexanamide (PubChem CID 14472479) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 6-cyanohexanamide.

Molecular Properties

Compound Name6-cyanohexanamide
PubChem CID14472479
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name6-cyanohexanamide
SMILESN#CCCCCCC(N)=O
InChIInChI=1S/C7H12N2O/c8-6-4-2-1-3-5-7(9)10/h1-5H2,(H2,9,10)
InChIKeyMLILJPBNPPVVSA-UHFFFAOYSA-N
XLogP0.95
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-cyanohexanamide?
The IUPAC name of 6-cyanohexanamide (CID 14472479) is 6-cyanohexanamide.
What is the SMILES notation for 6-cyanohexanamide?
The canonical SMILES for 6-cyanohexanamide is N#CCCCCCC(N)=O.
What is the InChIKey of 6-cyanohexanamide?
The InChIKey is MLILJPBNPPVVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c8-6-4-2-1-3-5-7(9)10/h1-5H2,(H2,9,10).
What are the key properties of 6-cyanohexanamide?
6-cyanohexanamide has a molecular weight of 140.19 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyanohexanamide is sourced from PubChem (CID 14472479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).