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

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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).