1-(azepan-1-yl)dec-2-en-1-one

C16H29NO — CID 66769739

IUPAC1-(azepan-1-yl)dec-2-en-1-one
SMILESCCCCCCCC=CC(=O)N1CCCCCC1
InChIInChI=1S/C16H29NO/c1-2-3-4-5-6-7-10-13-16(18)17-14-11-8-9-12-15-17/h10,13H,2-9,11-12,14-15H2,1H3
InChIKeyNWWIDMQGFXTAOR-UHFFFAOYSA-N
MW251.41 g/mol
LogP4.31
Rot. Bonds7

About 1-(azepan-1-yl)dec-2-en-1-one

1-(azepan-1-yl)dec-2-en-1-one (PubChem CID 66769739) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1-(azepan-1-yl)dec-2-en-1-one.

Molecular Properties

Compound Name1-(azepan-1-yl)dec-2-en-1-one
PubChem CID66769739
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1-(azepan-1-yl)dec-2-en-1-one
SMILESCCCCCCCC=CC(=O)N1CCCCCC1
InChIInChI=1S/C16H29NO/c1-2-3-4-5-6-7-10-13-16(18)17-14-11-8-9-12-15-17/h10,13H,2-9,11-12,14-15H2,1H3
InChIKeyNWWIDMQGFXTAOR-UHFFFAOYSA-N
XLogP4.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(azepan-1-yl)dec-2-en-1-one
CID 46935133
(E)-1-piperidin-1-yltridec-2-en-1-one
CID 102388697
1-pyrrolidin-1-ylicosa-2,4,14-trien-1-one
CID 76515599
(2E,4E,12Z)-1-pyrrolidin-1-yloctadeca-2,4,12-trien-1-one
CID 57338317
1-(4-hydroxypiperidin-1-yl)dec-2-en-1-one
CID 123727721
(5Z,9Z,17Z)-1-pyrrolidin-1-ylhexacosa-5,9,17-trien-1-one
CID 91705242
(E)-1-(azocan-1-yl)dec-3-en-1-one
CID 71738791
1-(1,3-thiazolidin-3-yl)dec-2-en-1-one
CID 123835401
1-pyrrolidin-1-yloctadec-6-en-1-one
CID 574885
(7Z,13Z)-1-pyrrolidin-1-yldocosa-7,13-dien-1-one
CID 91705104
1-pyrrolidin-1-ylhexadec-4-en-1-one
CID 163192567
(8Z,12Z)-1-pyrrolidin-1-yloctadeca-8,12-dien-1-one
CID 91705036

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)dec-2-en-1-one?
The IUPAC name of 1-(azepan-1-yl)dec-2-en-1-one (CID 66769739) is 1-(azepan-1-yl)dec-2-en-1-one.
What is the SMILES notation for 1-(azepan-1-yl)dec-2-en-1-one?
The canonical SMILES for 1-(azepan-1-yl)dec-2-en-1-one is CCCCCCCC=CC(=O)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)dec-2-en-1-one?
The InChIKey is NWWIDMQGFXTAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-2-3-4-5-6-7-10-13-16(18)17-14-11-8-9-12-15-17/h10,13H,2-9,11-12,14-15H2,1H3.
What are the key properties of 1-(azepan-1-yl)dec-2-en-1-one?
1-(azepan-1-yl)dec-2-en-1-one has a molecular weight of 251.41 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)dec-2-en-1-one is sourced from PubChem (CID 66769739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).