2-[(1R)-2,6,6-trimethyl-5-oxocyclohex-2-en-1-yl]acetamide

C11H17NO2 — CID 101413759

IUPAC2-[(1R)-2,6,6-trimethyl-5-oxocyclohex-2-en-1-yl]acetamide
SMILESCC1=CCC(=O)C(C)(C)[C@@H]1CC(N)=O
InChIInChI=1S/C11H17NO2/c1-7-4-5-9(13)11(2,3)8(7)6-10(12)14/h4,8H,5-6H2,1-3H3,(H2,12,14)/t8-/m1/s1
InChIKeyDAPKZWZFZZOSES-MRVPVSSYSA-N
MW195.26 g/mol
LogP1.42
Rot. Bonds2

About 2-[(1R)-2,6,6-trimethyl-5-oxocyclohex-2-en-1-yl]acetamide

2-[(1R)-2,6,6-trimethyl-5-oxocyclohex-2-en-1-yl]acetamide (PubChem CID 101413759) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-[(1R)-2,6,6-trimethyl-5-oxocyclohex-2-en-1-yl]acetamide.

Molecular Properties

Compound Name2-[(1R)-2,6,6-trimethyl-5-oxocyclohex-2-en-1-yl]acetamide
PubChem CID101413759
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-[(1R)-2,6,6-trimethyl-5-oxocyclohex-2-en-1-yl]acetamide
SMILESCC1=CCC(=O)C(C)(C)[C@@H]1CC(N)=O
InChIInChI=1S/C11H17NO2/c1-7-4-5-9(13)11(2,3)8(7)6-10(12)14/h4,8H,5-6H2,1-3H3,(H2,12,14)/t8-/m1/s1
InChIKeyDAPKZWZFZZOSES-MRVPVSSYSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(1R)-2,6,6-trimethyl-5-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-[(1S)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]acetamide
CID 131168921
3-(Difluoromethyl)-6,6-dimethyl-4-oxocyclohex-2-ene-1-carboxamide
CID 149897283
2-(3-Oxo-2-pent-2-enylcyclopentyl)acetamide
CID 5365335
2-(3,5,5-Trimethylcyclohexen-1-yl)acetamide
CID 19768901
2-[3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetamide
CID 21159950
2-Methyl-2-(4-methylpent-3-enyl)cyclopropane-1-carboxamide
CID 23115930
3-Methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanamide
CID 67371634
2-[2-[(Z)-but-2-enyl]-4-oxocyclopentyl]acetamide
CID 67463210
2-(3,3,5-Trimethylcyclohexen-1-yl)acetamide
CID 70275364
Hexanediamide;3,5,5-trimethylcyclohex-2-en-1-one
CID 89701214
2-(3,6-Dimethyl-4-oxoheptan-2-yl)-4-methyloct-6-enamide
CID 123386599

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2,6,6-trimethyl-5-oxocyclohex-2-en-1-yl]acetamide?
The IUPAC name of 2-[(1R)-2,6,6-trimethyl-5-oxocyclohex-2-en-1-yl]acetamide (CID 101413759) is 2-[(1R)-2,6,6-trimethyl-5-oxocyclohex-2-en-1-yl]acetamide.
What is the SMILES notation for 2-[(1R)-2,6,6-trimethyl-5-oxocyclohex-2-en-1-yl]acetamide?
The canonical SMILES for 2-[(1R)-2,6,6-trimethyl-5-oxocyclohex-2-en-1-yl]acetamide is CC1=CCC(=O)C(C)(C)[C@@H]1CC(N)=O.
What is the InChIKey of 2-[(1R)-2,6,6-trimethyl-5-oxocyclohex-2-en-1-yl]acetamide?
The InChIKey is DAPKZWZFZZOSES-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-7-4-5-9(13)11(2,3)8(7)6-10(12)14/h4,8H,5-6H2,1-3H3,(H2,12,14)/t8-/m1/s1.
What are the key properties of 2-[(1R)-2,6,6-trimethyl-5-oxocyclohex-2-en-1-yl]acetamide?
2-[(1R)-2,6,6-trimethyl-5-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-[(1R)-2,6,6-trimethyl-5-oxocyclohex-2-en-1-yl]acetamide is sourced from PubChem (CID 101413759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).