N-(4-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

C15H17NO — CID 42906596

IUPACN-(4-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCc1ccc(NC(=O)C2CC3C=CC2C3)cc1
InChIInChI=1S/C15H17NO/c1-10-2-6-13(7-3-10)16-15(17)14-9-11-4-5-12(14)8-11/h2-7,11-12,14H,8-9H2,1H3,(H,16,17)
InChIKeyBJEOLASJGINHEJ-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.15
Rot. Bonds2

About N-(4-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-(4-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 42906596) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(4-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID42906596
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC NameN-(4-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCc1ccc(NC(=O)C2CC3C=CC2C3)cc1
InChIInChI=1S/C15H17NO/c1-10-2-6-13(7-3-10)16-15(17)14-9-11-4-5-12(14)8-11/h2-7,11-12,14H,8-9H2,1H3,(H,16,17)
InChIKeyBJEOLASJGINHEJ-UHFFFAOYSA-N
XLogP3.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S,4S)-N-(4-acetamidophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98514685
(1R,2S,4S)-N-[4-(3-methylbutanoylamino)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98273326
N-(2,5-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42905929
N-(4-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 13416955
(1S,2S,4S)-N-[4-(ethylsulfamoyl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 99803971
N-(6-bromo-3-pyridinyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 103809869
N-(2,3-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42906227
5-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-2-hydroxybenzoic acid
CID 24704021
N-(1-methylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 146085431
4-methyl-2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390370
2-methyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 79382752
(1R,2R,4S)-N-[4-[(3S)-oxolan-3-yl]oxyphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 99105095

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-(4-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 42906596) is N-(4-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-(4-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is Cc1ccc(NC(=O)C2CC3C=CC2C3)cc1.
What is the InChIKey of N-(4-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is BJEOLASJGINHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-10-2-6-13(7-3-10)16-15(17)14-9-11-4-5-12(14)8-11/h2-7,11-12,14H,8-9H2,1H3,(H,16,17).
What are the key properties of N-(4-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-(4-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 227.31 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 42906596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).