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

C17H19NO2 — CID 3729268

IUPACN-(2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl)benzamide
SMILESCC(=O)C1=C(NC(=O)c2ccccc2)CC2C1C2(C)C
InChIInChI=1S/C17H19NO2/c1-10(19)14-13(9-12-15(14)17(12,2)3)18-16(20)11-7-5-4-6-8-11/h4-8,12,15H,9H2,1-3H3,(H,18,20)
InChIKeyYQMYUMRTQGFQSG-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.94
Rot. Bonds3

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

N-(2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl)benzamide (PubChem CID 3729268) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-(2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl)benzamide.

Molecular Properties

Compound NameN-(2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl)benzamide
PubChem CID3729268
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-(2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl)benzamide
SMILESCC(=O)C1=C(NC(=O)c2ccccc2)CC2C1C2(C)C
InChIInChI=1S/C17H19NO2/c1-10(19)14-13(9-12-15(14)17(12,2)3)18-16(20)11-7-5-4-6-8-11/h4-8,12,15H,9H2,1-3H3,(H,18,20)
InChIKeyYQMYUMRTQGFQSG-UHFFFAOYSA-N
XLogP2.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.94
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)benzamide?
The IUPAC name of N-(2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl)benzamide (CID 3729268) is N-(2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl)benzamide.
What is the SMILES notation for N-(2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl)benzamide?
The canonical SMILES for N-(2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl)benzamide is CC(=O)C1=C(NC(=O)c2ccccc2)CC2C1C2(C)C.
What is the InChIKey of N-(2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl)benzamide?
The InChIKey is YQMYUMRTQGFQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-10(19)14-13(9-12-15(14)17(12,2)3)18-16(20)11-7-5-4-6-8-11/h4-8,12,15H,9H2,1-3H3,(H,18,20).
What are the key properties of N-(2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl)benzamide?
N-(2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl)benzamide has a molecular weight of 269.34 g/mol, XLogP of 2.94, 3 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)benzamide is sourced from PubChem (CID 3729268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).