(E)-hexadec-9-enamide

C16H31NO — CID 19747173

IUPAC(E)-hexadec-9-enamide
SMILESCCCCCC/C=C/CCCCCCCC(N)=O
InChIInChI=1S/C16H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H2,17,18)/b8-7+
InChIKeyYRPQTVNCCVPGFA-BQYQJAHWSA-N
MW253.43 g/mol
LogP4.73
Rot. Bonds13

About (E)-hexadec-9-enamide

(E)-hexadec-9-enamide (PubChem CID 19747173) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is (E)-hexadec-9-enamide.

Molecular Properties

Compound Name(E)-hexadec-9-enamide
PubChem CID19747173
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name(E)-hexadec-9-enamide
SMILESCCCCCC/C=C/CCCCCCCC(N)=O
InChIInChI=1S/C16H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H2,17,18)/b8-7+
InChIKeyYRPQTVNCCVPGFA-BQYQJAHWSA-N
XLogP4.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-hexadec-9-enamide?
The IUPAC name of (E)-hexadec-9-enamide (CID 19747173) is (E)-hexadec-9-enamide.
What is the SMILES notation for (E)-hexadec-9-enamide?
The canonical SMILES for (E)-hexadec-9-enamide is CCCCCC/C=C/CCCCCCCC(N)=O.
What is the InChIKey of (E)-hexadec-9-enamide?
The InChIKey is YRPQTVNCCVPGFA-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H2,17,18)/b8-7+.
What are the key properties of (E)-hexadec-9-enamide?
(E)-hexadec-9-enamide has a molecular weight of 253.43 g/mol, XLogP of 4.73, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hexadec-9-enamide is sourced from PubChem (CID 19747173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).