1-(azepan-2-yl)oct-7-en-1-one

C14H25NO — CID 107010905

IUPAC1-(azepan-2-yl)oct-7-en-1-one
SMILESC=CCCCCCC(=O)C1CCCCCN1
InChIInChI=1S/C14H25NO/c1-2-3-4-5-8-11-14(16)13-10-7-6-9-12-15-13/h2,13,15H,1,3-12H2
InChIKeyKMIUOYJSUAKVBT-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.22
Rot. Bonds7

About 1-(azepan-2-yl)oct-7-en-1-one

1-(azepan-2-yl)oct-7-en-1-one (PubChem CID 107010905) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(azepan-2-yl)oct-7-en-1-one.

Molecular Properties

Compound Name1-(azepan-2-yl)oct-7-en-1-one
PubChem CID107010905
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(azepan-2-yl)oct-7-en-1-one
SMILESC=CCCCCCC(=O)C1CCCCCN1
InChIInChI=1S/C14H25NO/c1-2-3-4-5-8-11-14(16)13-10-7-6-9-12-15-13/h2,13,15H,1,3-12H2
InChIKeyKMIUOYJSUAKVBT-UHFFFAOYSA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.22
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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Related Compounds

1-[(2S)-pyrrolidin-2-yl]heptadecan-1-one
CID 90355847
1-cyclohexyl-1-hydroxynon-8-en-2-one
CID 107008454
4-ethylsulfonyl-1-piperidin-2-ylbutan-1-one
CID 116547815
1-piperidin-3-yloct-7-en-1-one
CID 107010785
4-hexadec-15-enoylazepan-2-one
CID 67914860
2-hept-6-enylpiperidine
CID 107010178
(3S)-3-undec-10-enoylpiperidin-2-one
CID 66893406
N,N-bis(prop-2-enyl)piperidine-2-carboxamide;hydrochloride
CID 53410651
1-(9-azabicyclo[3.3.1]nonan-3-yl)hept-6-en-1-one
CID 171937877
1-piperidin-2-ylprop-2-en-1-one
CID 116547790
3-ethylsulfonyl-1-piperidin-2-ylpropan-1-one
CID 106736095
2-cyclopropyl-1-piperidin-2-ylethanone
CID 119030480

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-2-yl)oct-7-en-1-one?
The IUPAC name of 1-(azepan-2-yl)oct-7-en-1-one (CID 107010905) is 1-(azepan-2-yl)oct-7-en-1-one.
What is the SMILES notation for 1-(azepan-2-yl)oct-7-en-1-one?
The canonical SMILES for 1-(azepan-2-yl)oct-7-en-1-one is C=CCCCCCC(=O)C1CCCCCN1.
What is the InChIKey of 1-(azepan-2-yl)oct-7-en-1-one?
The InChIKey is KMIUOYJSUAKVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-3-4-5-8-11-14(16)13-10-7-6-9-12-15-13/h2,13,15H,1,3-12H2.
What are the key properties of 1-(azepan-2-yl)oct-7-en-1-one?
1-(azepan-2-yl)oct-7-en-1-one has a molecular weight of 223.36 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-2-yl)oct-7-en-1-one is sourced from PubChem (CID 107010905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).