N-cyclopropyl-2-ethenyl-3-methylbenzamide

C13H15NO — CID 169452426

IUPACN-cyclopropyl-2-ethenyl-3-methylbenzamide
SMILESC=Cc1c(C)cccc1C(=O)NC1CC1
InChIInChI=1S/C13H15NO/c1-3-11-9(2)5-4-6-12(11)13(15)14-10-7-8-10/h3-6,10H,1,7-8H2,2H3,(H,14,15)
InChIKeyIOJCSBQUVGVERU-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.53
Rot. Bonds3

About N-cyclopropyl-2-ethenyl-3-methylbenzamide

N-cyclopropyl-2-ethenyl-3-methylbenzamide (PubChem CID 169452426) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is N-cyclopropyl-2-ethenyl-3-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-ethenyl-3-methylbenzamide
PubChem CID169452426
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC NameN-cyclopropyl-2-ethenyl-3-methylbenzamide
SMILESC=Cc1c(C)cccc1C(=O)NC1CC1
InChIInChI=1S/C13H15NO/c1-3-11-9(2)5-4-6-12(11)13(15)14-10-7-8-10/h3-6,10H,1,7-8H2,2H3,(H,14,15)
InChIKeyIOJCSBQUVGVERU-UHFFFAOYSA-N
XLogP2.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclopentyl-2-ethenyl-3-methylbenzamide
CID 169452439
2-ethenyl-3-methyl-N-(oxan-4-yl)benzamide
CID 169452441
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
2-ethenyl-3-methyl-N-propan-2-ylbenzamide
CID 169452425
2-bromo-3-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 107983181
N-[4-(ethylamino)cyclohexyl]-2-fluoro-3-methylbenzamide
CID 81481989
N-(4-aminocyclohexyl)-2-methylbenzamide
CID 43653114
N-cyclobutyl-2-hydroxy-3-methylbenzamide
CID 62416564
N-cyclobutyl-2-fluoro-3-methylbenzamide
CID 80712137
2-amino-N-cyclobutyl-3-methylbenzamide
CID 62416482
N-cycloheptyl-2-fluoro-3-methylbenzamide
CID 80719060
4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808371

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-ethenyl-3-methylbenzamide?
The IUPAC name of N-cyclopropyl-2-ethenyl-3-methylbenzamide (CID 169452426) is N-cyclopropyl-2-ethenyl-3-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-2-ethenyl-3-methylbenzamide?
The canonical SMILES for N-cyclopropyl-2-ethenyl-3-methylbenzamide is C=Cc1c(C)cccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-ethenyl-3-methylbenzamide?
The InChIKey is IOJCSBQUVGVERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-3-11-9(2)5-4-6-12(11)13(15)14-10-7-8-10/h3-6,10H,1,7-8H2,2H3,(H,14,15).
What are the key properties of N-cyclopropyl-2-ethenyl-3-methylbenzamide?
N-cyclopropyl-2-ethenyl-3-methylbenzamide has a molecular weight of 201.27 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-ethenyl-3-methylbenzamide is sourced from PubChem (CID 169452426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).