(5S)-3-(2,2-dimethylhydrazinyl)-5-(3-methoxyphenyl)cyclohex-2-en-1-one

C15H20N2O2 — CID 718834

IUPAC(5S)-3-(2,2-dimethylhydrazinyl)-5-(3-methoxyphenyl)cyclohex-2-en-1-one
SMILESCOc1cccc([C@@H]2CC(=O)C=C(NN(C)C)C2)c1
InChIInChI=1S/C15H20N2O2/c1-17(2)16-13-7-12(8-14(18)10-13)11-5-4-6-15(9-11)19-3/h4-6,9-10,12,16H,7-8H2,1-3H3/t12-/m0/s1
InChIKeyLQVQQANFZDWYMI-LBPRGKRZSA-N
MW260.34 g/mol
LogP2.09
Rot. Bonds4

About (5S)-3-(2,2-dimethylhydrazinyl)-5-(3-methoxyphenyl)cyclohex-2-en-1-one

(5S)-3-(2,2-dimethylhydrazinyl)-5-(3-methoxyphenyl)cyclohex-2-en-1-one (PubChem CID 718834) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (5S)-3-(2,2-dimethylhydrazinyl)-5-(3-methoxyphenyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name(5S)-3-(2,2-dimethylhydrazinyl)-5-(3-methoxyphenyl)cyclohex-2-en-1-one
PubChem CID718834
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(5S)-3-(2,2-dimethylhydrazinyl)-5-(3-methoxyphenyl)cyclohex-2-en-1-one
SMILESCOc1cccc([C@@H]2CC(=O)C=C(NN(C)C)C2)c1
InChIInChI=1S/C15H20N2O2/c1-17(2)16-13-7-12(8-14(18)10-13)11-5-4-6-15(9-11)19-3/h4-6,9-10,12,16H,7-8H2,1-3H3/t12-/m0/s1
InChIKeyLQVQQANFZDWYMI-LBPRGKRZSA-N
XLogP2.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-5-(3-methoxyphenyl)cyclohex-2-en-1-one;hydrate
CID 170922658
5-(3-methoxyphenyl)-3-(thiophen-2-ylmethylamino)cyclohex-2-en-1-one
CID 4915811
3-[2-(3,4-dimethoxyphenyl)ethylamino]-5-(3-methoxyphenyl)cyclohex-2-en-1-one
CID 3538320
3-(2,5-dimethoxyanilino)-5-phenylcyclohex-2-en-1-one
CID 3975103
1-methoxy-3-(3-methylidenecyclobutyl)benzene
CID 156818546
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
(5S)-3-(cyclopropylamino)-5-(4-methoxyphenyl)cyclohex-2-en-1-one
CID 800726
(5S)-3-methyl-5-(3-phenoxyphenyl)cyclohex-2-en-1-one
CID 139074788
carbanide;1-cyclopropyl-3-methoxybenzene;tungsten
CID 169265135
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
(5S)-3-(3,4-dimethoxyanilino)-5-(4-methoxyphenyl)cyclohex-2-en-1-one
CID 1128179
2-(3-methoxyphenyl)-2,3-dihydropyran-4-one
CID 11287173

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(2,2-dimethylhydrazinyl)-5-(3-methoxyphenyl)cyclohex-2-en-1-one?
The IUPAC name of (5S)-3-(2,2-dimethylhydrazinyl)-5-(3-methoxyphenyl)cyclohex-2-en-1-one (CID 718834) is (5S)-3-(2,2-dimethylhydrazinyl)-5-(3-methoxyphenyl)cyclohex-2-en-1-one.
What is the SMILES notation for (5S)-3-(2,2-dimethylhydrazinyl)-5-(3-methoxyphenyl)cyclohex-2-en-1-one?
The canonical SMILES for (5S)-3-(2,2-dimethylhydrazinyl)-5-(3-methoxyphenyl)cyclohex-2-en-1-one is COc1cccc([C@@H]2CC(=O)C=C(NN(C)C)C2)c1.
What is the InChIKey of (5S)-3-(2,2-dimethylhydrazinyl)-5-(3-methoxyphenyl)cyclohex-2-en-1-one?
The InChIKey is LQVQQANFZDWYMI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-17(2)16-13-7-12(8-14(18)10-13)11-5-4-6-15(9-11)19-3/h4-6,9-10,12,16H,7-8H2,1-3H3/t12-/m0/s1.
What are the key properties of (5S)-3-(2,2-dimethylhydrazinyl)-5-(3-methoxyphenyl)cyclohex-2-en-1-one?
(5S)-3-(2,2-dimethylhydrazinyl)-5-(3-methoxyphenyl)cyclohex-2-en-1-one has a molecular weight of 260.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(2,2-dimethylhydrazinyl)-5-(3-methoxyphenyl)cyclohex-2-en-1-one is sourced from PubChem (CID 718834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).