9-cyanononanamide

C10H18N2O — CID 57428046

IUPAC9-cyanononanamide
SMILESN#CCCCCCCCCC(N)=O
InChIInChI=1S/C10H18N2O/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1-8H2,(H2,12,13)
InChIKeyMDFNCQNPWVQZAY-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.12
Rot. Bonds8

About 9-cyanononanamide

9-cyanononanamide (PubChem CID 57428046) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 9-cyanononanamide.

Molecular Properties

Compound Name9-cyanononanamide
PubChem CID57428046
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name9-cyanononanamide
SMILESN#CCCCCCCCCC(N)=O
InChIInChI=1S/C10H18N2O/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1-8H2,(H2,12,13)
InChIKeyMDFNCQNPWVQZAY-UHFFFAOYSA-N
XLogP2.12
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.12
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 9-cyanononanamide?
The IUPAC name of 9-cyanononanamide (CID 57428046) is 9-cyanononanamide.
What is the SMILES notation for 9-cyanononanamide?
The canonical SMILES for 9-cyanononanamide is N#CCCCCCCCCC(N)=O.
What is the InChIKey of 9-cyanononanamide?
The InChIKey is MDFNCQNPWVQZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1-8H2,(H2,12,13).
What are the key properties of 9-cyanononanamide?
9-cyanononanamide has a molecular weight of 182.27 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyanononanamide is sourced from PubChem (CID 57428046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).