3-hydroxy-5,5-dimethyl-2-(2-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohex-2-en-1-one

C14H21NO2 — CID 135759142

IUPAC3-hydroxy-5,5-dimethyl-2-(2-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohex-2-en-1-one
SMILESCC1CCCC(C2=C(O)CC(C)(C)CC2=O)=N1
InChIInChI=1S/C14H21NO2/c1-9-5-4-6-10(15-9)13-11(16)7-14(2,3)8-12(13)17/h9,16H,4-8H2,1-3H3
InChIKeyBEXDQBHMACNLAF-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.20
Rot. Bonds1

About 3-hydroxy-5,5-dimethyl-2-(2-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohex-2-en-1-one

3-hydroxy-5,5-dimethyl-2-(2-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohex-2-en-1-one (PubChem CID 135759142) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-hydroxy-5,5-dimethyl-2-(2-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-hydroxy-5,5-dimethyl-2-(2-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohex-2-en-1-one
PubChem CID135759142
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-hydroxy-5,5-dimethyl-2-(2-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohex-2-en-1-one
SMILESCC1CCCC(C2=C(O)CC(C)(C)CC2=O)=N1
InChIInChI=1S/C14H21NO2/c1-9-5-4-6-10(15-9)13-11(16)7-14(2,3)8-12(13)17/h9,16H,4-8H2,1-3H3
InChIKeyBEXDQBHMACNLAF-UHFFFAOYSA-N
XLogP3.20
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-5,5-dimethyl-2-(3-methyl-3,4-dihydro-2H-pyrrol-5-yl)cyclohex-2-en-1-one
CID 135759156
2-[(3aS,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
CID 137083423
2-(3,6-dihydro-2H-1,4-oxazin-5-yl)-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
CID 135759138
3-hydroxy-5,5-dimethyl-2-(3-methylthiadiazol-3-ium-5-yl)cyclohex-2-en-1-one
CID 135508587
2-cyclohex-2-en-1-yl-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
CID 11790726
2-(cyclopentyliminomethyl)-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
CID 135530987
2-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)indol-3-one
CID 135489620
3-hydroxy-2-methoxy-5,5-dimethylcyclohex-2-en-1-one
CID 12551289
3-hydroxy-5,5-dimethyl-2-nitrosocyclohex-2-en-1-one
CID 135433726
(4aS)-9,9-dimethyl-1,2,3,4,4a,5,8,10-octahydrobenzo[c]quinolizine-6,7-dione
CID 712032
3-hydroxy-5,5-dimethyl-2-spiro[4H-isoquinoline-3,1'-cycloheptane]-1-ylcyclohex-2-en-1-one
CID 135404024
3-hydroxy-5,5-dimethyl-2-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylcyclohex-2-en-1-one
CID 135403988

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5,5-dimethyl-2-(2-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohex-2-en-1-one?
The IUPAC name of 3-hydroxy-5,5-dimethyl-2-(2-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohex-2-en-1-one (CID 135759142) is 3-hydroxy-5,5-dimethyl-2-(2-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-hydroxy-5,5-dimethyl-2-(2-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohex-2-en-1-one?
The canonical SMILES for 3-hydroxy-5,5-dimethyl-2-(2-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohex-2-en-1-one is CC1CCCC(C2=C(O)CC(C)(C)CC2=O)=N1.
What is the InChIKey of 3-hydroxy-5,5-dimethyl-2-(2-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohex-2-en-1-one?
The InChIKey is BEXDQBHMACNLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9-5-4-6-10(15-9)13-11(16)7-14(2,3)8-12(13)17/h9,16H,4-8H2,1-3H3.
What are the key properties of 3-hydroxy-5,5-dimethyl-2-(2-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohex-2-en-1-one?
3-hydroxy-5,5-dimethyl-2-(2-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohex-2-en-1-one has a molecular weight of 235.33 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5,5-dimethyl-2-(2-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 135759142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).