1-ethenyl-5-nonylazepan-2-one

C17H31NO — CID 134495583

IUPAC1-ethenyl-5-nonylazepan-2-one
SMILESC=CN1CCC(CCCCCCCCC)CCC1=O
InChIInChI=1S/C17H31NO/c1-3-5-6-7-8-9-10-11-16-12-13-17(19)18(4-2)15-14-16/h4,16H,2-3,5-15H2,1H3
InChIKeyYWTDJZSGMXAWLZ-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.90
Rot. Bonds9

About 1-ethenyl-5-nonylazepan-2-one

1-ethenyl-5-nonylazepan-2-one (PubChem CID 134495583) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-ethenyl-5-nonylazepan-2-one.

Molecular Properties

Compound Name1-ethenyl-5-nonylazepan-2-one
PubChem CID134495583
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name1-ethenyl-5-nonylazepan-2-one
SMILESC=CN1CCC(CCCCCCCCC)CCC1=O
InChIInChI=1S/C17H31NO/c1-3-5-6-7-8-9-10-11-16-12-13-17(19)18(4-2)15-14-16/h4,16H,2-3,5-15H2,1H3
InChIKeyYWTDJZSGMXAWLZ-UHFFFAOYSA-N
XLogP4.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-decylcyclohexan-1-one
CID 13479948
4-[2-(4-heptylcyclohexyl)ethyl]cyclohexan-1-one
CID 15006713
1-ethenyl-4-propylazepan-2-one
CID 18512687
4-pentylpiperidine-1-carbaldehyde
CID 13418208
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
1-(4-heptylpiperidin-1-yl)ethanone
CID 155216374
3-dodecan-3-yl-1-ethenylpyrrolidin-2-one
CID 152762647
3-pentylcyclopentan-1-one
CID 11040911
6-decylcyclododecan-1-one
CID 21490531

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-5-nonylazepan-2-one?
The IUPAC name of 1-ethenyl-5-nonylazepan-2-one (CID 134495583) is 1-ethenyl-5-nonylazepan-2-one.
What is the SMILES notation for 1-ethenyl-5-nonylazepan-2-one?
The canonical SMILES for 1-ethenyl-5-nonylazepan-2-one is C=CN1CCC(CCCCCCCCC)CCC1=O.
What is the InChIKey of 1-ethenyl-5-nonylazepan-2-one?
The InChIKey is YWTDJZSGMXAWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-3-5-6-7-8-9-10-11-16-12-13-17(19)18(4-2)15-14-16/h4,16H,2-3,5-15H2,1H3.
What are the key properties of 1-ethenyl-5-nonylazepan-2-one?
1-ethenyl-5-nonylazepan-2-one has a molecular weight of 265.44 g/mol, XLogP of 4.90, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-5-nonylazepan-2-one is sourced from PubChem (CID 134495583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).