1-(1-hydroxyundec-10-en-4-yl)azepan-2-one

C17H31NO2 — CID 57116314

IUPAC1-(1-hydroxyundec-10-en-4-yl)azepan-2-one
SMILESC=CCCCCCC(CCCO)N1CCCCCC1=O
InChIInChI=1S/C17H31NO2/c1-2-3-4-5-7-11-16(12-10-15-19)18-14-9-6-8-13-17(18)20/h2,16,19H,1,3-15H2
InChIKeyIDGZICSEZCXGNY-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.67
Rot. Bonds10

About 1-(1-hydroxyundec-10-en-4-yl)azepan-2-one

1-(1-hydroxyundec-10-en-4-yl)azepan-2-one (PubChem CID 57116314) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(1-hydroxyundec-10-en-4-yl)azepan-2-one.

Molecular Properties

Compound Name1-(1-hydroxyundec-10-en-4-yl)azepan-2-one
PubChem CID57116314
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name1-(1-hydroxyundec-10-en-4-yl)azepan-2-one
SMILESC=CCCCCCC(CCCO)N1CCCCCC1=O
InChIInChI=1S/C17H31NO2/c1-2-3-4-5-7-11-16(12-10-15-19)18-14-9-6-8-13-17(18)20/h2,16,19H,1,3-15H2
InChIKeyIDGZICSEZCXGNY-UHFFFAOYSA-N
XLogP3.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(1-hydroxyundec-10-en-4-yl)azepan-2-one?
The IUPAC name of 1-(1-hydroxyundec-10-en-4-yl)azepan-2-one (CID 57116314) is 1-(1-hydroxyundec-10-en-4-yl)azepan-2-one.
What is the SMILES notation for 1-(1-hydroxyundec-10-en-4-yl)azepan-2-one?
The canonical SMILES for 1-(1-hydroxyundec-10-en-4-yl)azepan-2-one is C=CCCCCCC(CCCO)N1CCCCCC1=O.
What is the InChIKey of 1-(1-hydroxyundec-10-en-4-yl)azepan-2-one?
The InChIKey is IDGZICSEZCXGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-2-3-4-5-7-11-16(12-10-15-19)18-14-9-6-8-13-17(18)20/h2,16,19H,1,3-15H2.
What are the key properties of 1-(1-hydroxyundec-10-en-4-yl)azepan-2-one?
1-(1-hydroxyundec-10-en-4-yl)azepan-2-one has a molecular weight of 281.44 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyundec-10-en-4-yl)azepan-2-one is sourced from PubChem (CID 57116314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).