(6R)-6-(3-methoxyphenyl)-6-(methylamino)cyclohex-2-en-1-one

C14H17NO2 — CID 138575946

IUPAC(6R)-6-(3-methoxyphenyl)-6-(methylamino)cyclohex-2-en-1-one
SMILESCN[C@@]1(c2cccc(OC)c2)CCC=CC1=O
InChIInChI=1S/C14H17NO2/c1-15-14(9-4-3-8-13(14)16)11-6-5-7-12(10-11)17-2/h3,5-8,10,15H,4,9H2,1-2H3/t14-/m1/s1
InChIKeyCCSSCDLQBLIQIG-CQSZACIVSA-N
MW231.30 g/mol
LogP2.03
Rot. Bonds3

About (6R)-6-(3-methoxyphenyl)-6-(methylamino)cyclohex-2-en-1-one

(6R)-6-(3-methoxyphenyl)-6-(methylamino)cyclohex-2-en-1-one (PubChem CID 138575946) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is (6R)-6-(3-methoxyphenyl)-6-(methylamino)cyclohex-2-en-1-one.

Molecular Properties

Compound Name(6R)-6-(3-methoxyphenyl)-6-(methylamino)cyclohex-2-en-1-one
PubChem CID138575946
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name(6R)-6-(3-methoxyphenyl)-6-(methylamino)cyclohex-2-en-1-one
SMILESCN[C@@]1(c2cccc(OC)c2)CCC=CC1=O
InChIInChI=1S/C14H17NO2/c1-15-14(9-4-3-8-13(14)16)11-6-5-7-12(10-11)17-2/h3,5-8,10,15H,4,9H2,1-2H3/t14-/m1/s1
InChIKeyCCSSCDLQBLIQIG-CQSZACIVSA-N
XLogP2.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-6-(ethylamino)-6-(3-methoxyphenyl)cyclohex-2-en-1-one
CID 142560385
(3R)-3-(3-methoxyphenyl)-3-(methylamino)oxan-2-one
CID 153363684
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
2-hydroxy-2-methyl-6-(methylamino)-6-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one
CID 169100260
1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde
CID 83684685
(3S)-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 11264195
1-[3-(3-methoxyphenyl)phenyl]-N-methylcyclopropan-1-amine
CID 172875841
2-(3-methoxyphenyl)-2-methylcyclopentan-1-one
CID 14565708
N-ethyl-1-(3-methoxyphenyl)cyclohexan-1-amine
CID 57461569
2-(3-methoxyphenyl)-2-methylcyclohexan-1-one
CID 20571960
1-(3-methoxyphenyl)cyclopent-3-ene-1-carboxylic acid
CID 65353654
(5aR,8aS)-5a-(3-methoxyphenyl)-2-methyl-4,5,6,7,8,8a-hexahydro-3H-cyclopenta[c]azepin-1-one
CID 86736363

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(3-methoxyphenyl)-6-(methylamino)cyclohex-2-en-1-one?
The IUPAC name of (6R)-6-(3-methoxyphenyl)-6-(methylamino)cyclohex-2-en-1-one (CID 138575946) is (6R)-6-(3-methoxyphenyl)-6-(methylamino)cyclohex-2-en-1-one.
What is the SMILES notation for (6R)-6-(3-methoxyphenyl)-6-(methylamino)cyclohex-2-en-1-one?
The canonical SMILES for (6R)-6-(3-methoxyphenyl)-6-(methylamino)cyclohex-2-en-1-one is CN[C@@]1(c2cccc(OC)c2)CCC=CC1=O.
What is the InChIKey of (6R)-6-(3-methoxyphenyl)-6-(methylamino)cyclohex-2-en-1-one?
The InChIKey is CCSSCDLQBLIQIG-CQSZACIVSA-N. The full InChI is InChI=1S/C14H17NO2/c1-15-14(9-4-3-8-13(14)16)11-6-5-7-12(10-11)17-2/h3,5-8,10,15H,4,9H2,1-2H3/t14-/m1/s1.
What are the key properties of (6R)-6-(3-methoxyphenyl)-6-(methylamino)cyclohex-2-en-1-one?
(6R)-6-(3-methoxyphenyl)-6-(methylamino)cyclohex-2-en-1-one has a molecular weight of 231.30 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(3-methoxyphenyl)-6-(methylamino)cyclohex-2-en-1-one is sourced from PubChem (CID 138575946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).