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

C13H17NO2 — CID 66742326

IUPAC1-(4-methoxyphenyl)azepan-2-one
SMILESCOc1ccc(N2CCCCCC2=O)cc1
InChIInChI=1S/C13H17NO2/c1-16-12-8-6-11(7-9-12)14-10-4-2-3-5-13(14)15/h6-9H,2-5,10H2,1H3
InChIKeyBIGGKCBCQKACRF-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.60
Rot. Bonds2

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

1-(4-methoxyphenyl)azepan-2-one (PubChem CID 66742326) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)azepan-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)azepan-2-one
PubChem CID66742326
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(4-methoxyphenyl)azepan-2-one
SMILESCOc1ccc(N2CCCCCC2=O)cc1
InChIInChI=1S/C13H17NO2/c1-16-12-8-6-11(7-9-12)14-10-4-2-3-5-13(14)15/h6-9H,2-5,10H2,1H3
InChIKeyBIGGKCBCQKACRF-UHFFFAOYSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenoxy)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687329
1-(4-aminophenyl)azepan-2-one
CID 58962781
1-(4-methoxyphenyl)-1,4-diazocan-2-one
CID 117016195
1-(4-methoxyphenyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 10273395
N-(4-methoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9042283
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxoazepan-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 175000389
N-(4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9412020
1-(4-aminophenyl)piperidin-2-one
CID 11458178
1-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidin-2-one
CID 167376306
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-(2-oxopiperidin-1-yl)benzamide
CID 31285313

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)azepan-2-one?
The IUPAC name of 1-(4-methoxyphenyl)azepan-2-one (CID 66742326) is 1-(4-methoxyphenyl)azepan-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)azepan-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)azepan-2-one is COc1ccc(N2CCCCCC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)azepan-2-one?
The InChIKey is BIGGKCBCQKACRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-16-12-8-6-11(7-9-12)14-10-4-2-3-5-13(14)15/h6-9H,2-5,10H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)azepan-2-one?
1-(4-methoxyphenyl)azepan-2-one has a molecular weight of 219.28 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)azepan-2-one is sourced from PubChem (CID 66742326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).