3-[(E)-prop-1-enyl]azepan-2-one

C9H15NO — CID 153399753

IUPAC3-[(E)-prop-1-enyl]azepan-2-one
SMILESC/C=C/C1CCCCNC1=O
InChIInChI=1S/C9H15NO/c1-2-5-8-6-3-4-7-10-9(8)11/h2,5,8H,3-4,6-7H2,1H3,(H,10,11)/b5-2+
InChIKeyPILDPFKQFBZREQ-GORDUTHDSA-N
MW153.22 g/mol
LogP1.48
Rot. Bonds1

About 3-[(E)-prop-1-enyl]azepan-2-one

3-[(E)-prop-1-enyl]azepan-2-one (PubChem CID 153399753) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-[(E)-prop-1-enyl]azepan-2-one.

Molecular Properties

Compound Name3-[(E)-prop-1-enyl]azepan-2-one
PubChem CID153399753
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3-[(E)-prop-1-enyl]azepan-2-one
SMILESC/C=C/C1CCCCNC1=O
InChIInChI=1S/C9H15NO/c1-2-5-8-6-3-4-7-10-9(8)11/h2,5,8H,3-4,6-7H2,1H3,(H,10,11)/b5-2+
InChIKeyPILDPFKQFBZREQ-GORDUTHDSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methylazepan-2-one
CID 581216
3-methyl-azacycloundecan-2-one
CID 118421477
3-methylazonan-2-one
CID 59032742
3-methylazepan-2-one;molecular hydrogen
CID 142072840
3-(2,2-difluoroethyl)azepan-2-one
CID 104679699
3-(2-hydroxy-3-methylbutyl)azepan-2-one
CID 130495542
[(1R)-1-[(3R)-2-oxoazepan-3-yl]propyl]azanium
CID 7047454
(Z)-N-(2-oxoazepan-3-yl)pent-3-enamide
CID 143446170
ethane;3-methylazepan-2-one;propane
CID 142177771
3-bromo-azacycloundecan-2-one
CID 119089730
3-chloroazocan-2-one
CID 12706376
3-aminoazepan-2-one;nickel
CID 88838711

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-prop-1-enyl]azepan-2-one?
The IUPAC name of 3-[(E)-prop-1-enyl]azepan-2-one (CID 153399753) is 3-[(E)-prop-1-enyl]azepan-2-one.
What is the SMILES notation for 3-[(E)-prop-1-enyl]azepan-2-one?
The canonical SMILES for 3-[(E)-prop-1-enyl]azepan-2-one is C/C=C/C1CCCCNC1=O.
What is the InChIKey of 3-[(E)-prop-1-enyl]azepan-2-one?
The InChIKey is PILDPFKQFBZREQ-GORDUTHDSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-5-8-6-3-4-7-10-9(8)11/h2,5,8H,3-4,6-7H2,1H3,(H,10,11)/b5-2+.
What are the key properties of 3-[(E)-prop-1-enyl]azepan-2-one?
3-[(E)-prop-1-enyl]azepan-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-prop-1-enyl]azepan-2-one is sourced from PubChem (CID 153399753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).