5-cyanopentanamide

C6H10N2O — CID 11768576

IUPAC5-cyanopentanamide
SMILESN#CCCCCC(N)=O
InChIInChI=1S/C6H10N2O/c7-5-3-1-2-4-6(8)9/h1-4H2,(H2,8,9)
InChIKeyXZUDGZXKOFPLBC-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.56
Rot. Bonds4

About 5-cyanopentanamide

5-cyanopentanamide (PubChem CID 11768576) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 5-cyanopentanamide.

Molecular Properties

Compound Name5-cyanopentanamide
PubChem CID11768576
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name5-cyanopentanamide
SMILESN#CCCCCC(N)=O
InChIInChI=1S/C6H10N2O/c7-5-3-1-2-4-6(8)9/h1-4H2,(H2,8,9)
InChIKeyXZUDGZXKOFPLBC-UHFFFAOYSA-N
XLogP0.56
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.56
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 5-cyanopentanamide?
The IUPAC name of 5-cyanopentanamide (CID 11768576) is 5-cyanopentanamide.
What is the SMILES notation for 5-cyanopentanamide?
The canonical SMILES for 5-cyanopentanamide is N#CCCCCC(N)=O.
What is the InChIKey of 5-cyanopentanamide?
The InChIKey is XZUDGZXKOFPLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c7-5-3-1-2-4-6(8)9/h1-4H2,(H2,8,9).
What are the key properties of 5-cyanopentanamide?
5-cyanopentanamide has a molecular weight of 126.16 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyanopentanamide is sourced from PubChem (CID 11768576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).