(7R)-7-(2,6-dimethoxyphenyl)azepan-2-one

C14H19NO3 — CID 129395184

IUPAC(7R)-7-(2,6-dimethoxyphenyl)azepan-2-one
SMILESCOc1cccc(OC)c1[C@H]1CCCCC(=O)N1
InChIInChI=1S/C14H19NO3/c1-17-11-7-5-8-12(18-2)14(11)10-6-3-4-9-13(16)15-10/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyKSUCIPVCFUINER-SNVBAGLBSA-N
MW249.31 g/mol
LogP2.44
Rot. Bonds3

About (7R)-7-(2,6-dimethoxyphenyl)azepan-2-one

(7R)-7-(2,6-dimethoxyphenyl)azepan-2-one (PubChem CID 129395184) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (7R)-7-(2,6-dimethoxyphenyl)azepan-2-one.

Molecular Properties

Compound Name(7R)-7-(2,6-dimethoxyphenyl)azepan-2-one
PubChem CID129395184
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(7R)-7-(2,6-dimethoxyphenyl)azepan-2-one
SMILESCOc1cccc(OC)c1[C@H]1CCCCC(=O)N1
InChIInChI=1S/C14H19NO3/c1-17-11-7-5-8-12(18-2)14(11)10-6-3-4-9-13(16)15-10/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyKSUCIPVCFUINER-SNVBAGLBSA-N
XLogP2.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(3-methoxyphenyl)azepan-2-one
CID 12665502
7-(2,6-dimethoxyphenyl)azepan-2-one;7-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]azepan-2-one
CID 159103196
(4R)-4-(2,6-dimethoxyphenyl)imidazolidin-2-one
CID 171252504
(4S)-4-(2,6-dimethoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183799
3-(2,6-dimethoxyphenyl)cyclopentan-1-one
CID 112705599
7-(4-propan-2-ylphenyl)azepan-2-one
CID 165499164
5-methoxy-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-one
CID 66651992
2-(2-methoxyphenyl)cycloheptan-1-one
CID 44718991
2-(2-fluoro-6-methoxyphenyl)azetidine
CID 55282434
6-cyclopentyl-2-methoxycyclohepta-2,4,6-trien-1-one
CID 146179008
1,3-dimethoxy-2-(2-methylcyclopentyl)benzene
CID 118593665
6-[3,5-dimethyl-1-(3-naphthalen-1-yloxypropyl)pyrazol-4-yl]piperidin-2-one
CID 139020593

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(2,6-dimethoxyphenyl)azepan-2-one?
The IUPAC name of (7R)-7-(2,6-dimethoxyphenyl)azepan-2-one (CID 129395184) is (7R)-7-(2,6-dimethoxyphenyl)azepan-2-one.
What is the SMILES notation for (7R)-7-(2,6-dimethoxyphenyl)azepan-2-one?
The canonical SMILES for (7R)-7-(2,6-dimethoxyphenyl)azepan-2-one is COc1cccc(OC)c1[C@H]1CCCCC(=O)N1.
What is the InChIKey of (7R)-7-(2,6-dimethoxyphenyl)azepan-2-one?
The InChIKey is KSUCIPVCFUINER-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-11-7-5-8-12(18-2)14(11)10-6-3-4-9-13(16)15-10/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (7R)-7-(2,6-dimethoxyphenyl)azepan-2-one?
(7R)-7-(2,6-dimethoxyphenyl)azepan-2-one has a molecular weight of 249.31 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(2,6-dimethoxyphenyl)azepan-2-one is sourced from PubChem (CID 129395184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).