2-[(1S)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]acetamide

C11H17NO2 — CID 131168921

IUPAC2-[(1S)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]acetamide
SMILESCC1=CC(=O)CC(C)(C)[C@@H]1CC(N)=O
InChIInChI=1S/C11H17NO2/c1-7-4-8(13)6-11(2,3)9(7)5-10(12)14/h4,9H,5-6H2,1-3H3,(H2,12,14)/t9-/m1/s1
InChIKeyVXKIXSZTEOLWMG-SECBINFHSA-N
MW195.26 g/mol
LogP1.42
Rot. Bonds2

About 2-[(1S)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]acetamide

2-[(1S)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]acetamide (PubChem CID 131168921) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-[(1S)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]acetamide.

Molecular Properties

Compound Name2-[(1S)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]acetamide
PubChem CID131168921
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-[(1S)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]acetamide
SMILESCC1=CC(=O)CC(C)(C)[C@@H]1CC(N)=O
InChIInChI=1S/C11H17NO2/c1-7-4-8(13)6-11(2,3)9(7)5-10(12)14/h4,9H,5-6H2,1-3H3,(H2,12,14)/t9-/m1/s1
InChIKeyVXKIXSZTEOLWMG-SECBINFHSA-N
XLogP1.42
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(1S)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,5R)-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide
CID 127039230
2-[(1R)-2,6,6-trimethyl-5-oxocyclohex-2-en-1-yl]acetamide
CID 101413759
3-(Difluoromethyl)-6,6-dimethyl-4-oxocyclohex-2-ene-1-carboxamide
CID 149897283
3-[(1S)-1-ethenyl-4-oxocyclohex-2-en-1-yl]propanamide
CID 11217774
3-[(1R)-1-ethyl-4-oxocyclohex-2-en-1-yl]propanamide
CID 14395474
2-(2,2,3-Trimethylcyclopent-3-en-1-yl)acetamide
CID 316196
2-(3,5,5-Trimethylcyclohexen-1-yl)acetamide
CID 19768901
5-[4-(6-Amino-2-methyl-6-oxohexan-2-yl)-3,6-dioxocyclohexa-1,4-dien-1-yl]-5-methylhexanamide
CID 20238161
3-(4-Oxocyclohex-2-en-1-yl)propanamide
CID 21110355
Isophorone diacrylamide
CID 21274876
2-Methyl-2-(4-methylpent-3-enyl)cyclopropane-1-carboxamide
CID 23115930
Bis(3-oxobutanamide);3,5,5-trimethylcyclohex-2-en-1-one
CID 23458971

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]acetamide?
The IUPAC name of 2-[(1S)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]acetamide (CID 131168921) is 2-[(1S)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]acetamide.
What is the SMILES notation for 2-[(1S)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]acetamide?
The canonical SMILES for 2-[(1S)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]acetamide is CC1=CC(=O)CC(C)(C)[C@@H]1CC(N)=O.
What is the InChIKey of 2-[(1S)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]acetamide?
The InChIKey is VXKIXSZTEOLWMG-SECBINFHSA-N. The full InChI is InChI=1S/C11H17NO2/c1-7-4-8(13)6-11(2,3)9(7)5-10(12)14/h4,9H,5-6H2,1-3H3,(H2,12,14)/t9-/m1/s1.
What are the key properties of 2-[(1S)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]acetamide?
2-[(1S)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]acetamide has a molecular weight of 195.26 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]acetamide is sourced from PubChem (CID 131168921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).