1-(4-ethenylphenyl)azepan-2-one

C14H17NO — CID 155576688

IUPAC1-(4-ethenylphenyl)azepan-2-one
SMILESC=Cc1ccc(N2CCCCCC2=O)cc1
InChIInChI=1S/C14H17NO/c1-2-12-7-9-13(10-8-12)15-11-5-3-4-6-14(15)16/h2,7-10H,1,3-6,11H2
InChIKeyGCGFARQCWBWNGI-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.24
Rot. Bonds2

About 1-(4-ethenylphenyl)azepan-2-one

1-(4-ethenylphenyl)azepan-2-one (PubChem CID 155576688) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(4-ethenylphenyl)azepan-2-one.

Molecular Properties

Compound Name1-(4-ethenylphenyl)azepan-2-one
PubChem CID155576688
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-(4-ethenylphenyl)azepan-2-one
SMILESC=Cc1ccc(N2CCCCCC2=O)cc1
InChIInChI=1S/C14H17NO/c1-2-12-7-9-13(10-8-12)15-11-5-3-4-6-14(15)16/h2,7-10H,1,3-6,11H2
InChIKeyGCGFARQCWBWNGI-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-aminophenyl)azepan-2-one
CID 58962781
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-(4-aminophenyl)piperidin-2-one
CID 11458178
1-(4-chlorophenyl)piperidin-2-one
CID 53422142
(E)-3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-enoic acid
CID 18923208
1-[4-(trifluoromethyl)phenyl]azepan-2-one
CID 154102957
1-(4-methoxyphenyl)azepan-2-one
CID 66742326
1-(4-nitrophenyl)azepan-2-one
CID 58962770
1-(4-ethynylphenyl)pyrrolidin-2-one
CID 134367557
N-[2-(4-ethenylphenyl)ethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 154838852
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
3,3-dichloro-1-[4-(2-oxopiperidin-1-yl)phenyl]piperidin-2-one
CID 74539659

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylphenyl)azepan-2-one?
The IUPAC name of 1-(4-ethenylphenyl)azepan-2-one (CID 155576688) is 1-(4-ethenylphenyl)azepan-2-one.
What is the SMILES notation for 1-(4-ethenylphenyl)azepan-2-one?
The canonical SMILES for 1-(4-ethenylphenyl)azepan-2-one is C=Cc1ccc(N2CCCCCC2=O)cc1.
What is the InChIKey of 1-(4-ethenylphenyl)azepan-2-one?
The InChIKey is GCGFARQCWBWNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-12-7-9-13(10-8-12)15-11-5-3-4-6-14(15)16/h2,7-10H,1,3-6,11H2.
What are the key properties of 1-(4-ethenylphenyl)azepan-2-one?
1-(4-ethenylphenyl)azepan-2-one has a molecular weight of 215.30 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylphenyl)azepan-2-one is sourced from PubChem (CID 155576688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).