N-(2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl)acetamide

C12H17NO2 — CID 2871082

IUPACN-(2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl)acetamide
SMILESCC(=O)NC1=C(C(C)=O)C2C(C1)C2(C)C
InChIInChI=1S/C12H17NO2/c1-6(14)10-9(13-7(2)15)5-8-11(10)12(8,3)4/h8,11H,5H2,1-4H3,(H,13,15)
InChIKeyTUMHSTQCTFKTOS-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.64
Rot. Bonds2

About N-(2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl)acetamide

N-(2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl)acetamide (PubChem CID 2871082) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-(2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl)acetamide.

Molecular Properties

Compound NameN-(2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl)acetamide
PubChem CID2871082
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-(2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl)acetamide
SMILESCC(=O)NC1=C(C(C)=O)C2C(C1)C2(C)C
InChIInChI=1S/C12H17NO2/c1-6(14)10-9(13-7(2)15)5-8-11(10)12(8,3)4/h8,11H,5H2,1-4H3,(H,13,15)
InChIKeyTUMHSTQCTFKTOS-UHFFFAOYSA-N
XLogP1.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl)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

N-(2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl)benzamide
CID 3729268
N-[(1S,5R)-2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]-3-phenylprop-2-enamide
CID 928887
1-(3-hydroxy-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl)ethanone
CID 3681815
1-[(1R,5S)-3-amino-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl]ethanone
CID 92846372
N-[1-(6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene)ethyl]acetamide
CID 3831145
1-(3,3-dimethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl)ethanone
CID 58906754
(1S,5R)-2-[1-(2-hydroxyanilino)ethylidene]-6,6-dimethylbicyclo[3.1.0]hexan-3-one
CID 71964242
N-(6-hydroxy-2,2-dimethyl-4,7-dihydro-1,3-dioxepin-5-yl)acetamide
CID 59889638
(1S,5S)-2-[1-[4-[4-[1-[(1S,5S)-6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene]ethylamino]phenoxy]anilino]ethylidene]-6,6-dimethylbicyclo[3.1.0]hexan-3-one
CID 163092559
(1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 6932479
1-(4,7,7-trimethyl-3-bicyclo[4.1.0]hept-3-enyl)ethanone
CID 536539
1-[(1S,3S,6R)-4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enyl]ethanone
CID 40511718

Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl)acetamide?
The IUPAC name of N-(2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl)acetamide (CID 2871082) is N-(2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl)acetamide.
What is the SMILES notation for N-(2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl)acetamide?
The canonical SMILES for N-(2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl)acetamide is CC(=O)NC1=C(C(C)=O)C2C(C1)C2(C)C.
What is the InChIKey of N-(2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl)acetamide?
The InChIKey is TUMHSTQCTFKTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-6(14)10-9(13-7(2)15)5-8-11(10)12(8,3)4/h8,11H,5H2,1-4H3,(H,13,15).
What are the key properties of N-(2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl)acetamide?
N-(2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl)acetamide has a molecular weight of 207.27 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl)acetamide is sourced from PubChem (CID 2871082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).