2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)benzoic acid

C15H15NO3 — CID 24701586

IUPAC2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)benzoic acid
SMILESO=C(O)c1ccccc1NC(=O)C1CC2C=CC1C2
InChIInChI=1S/C15H15NO3/c17-14(12-8-9-5-6-10(12)7-9)16-13-4-2-1-3-11(13)15(18)19/h1-6,9-10,12H,7-8H2,(H,16,17)(H,18,19)
InChIKeyNTJYBEFXVTXOBQ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.54
Rot. Bonds3

About 2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)benzoic acid

2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)benzoic acid (PubChem CID 24701586) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)benzoic acid.

Molecular Properties

Compound Name2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)benzoic acid
PubChem CID24701586
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)benzoic acid
SMILESO=C(O)c1ccccc1NC(=O)C1CC2C=CC1C2
InChIInChI=1S/C15H15NO3/c17-14(12-8-9-5-6-10(12)7-9)16-13-4-2-1-3-11(13)15(18)19/h1-6,9-10,12H,7-8H2,(H,16,17)(H,18,19)
InChIKeyNTJYBEFXVTXOBQ-UHFFFAOYSA-N
XLogP2.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S,4S)-N-(2-chlorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 124568561
N-(2-propan-2-ylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42909018
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-[2-(2-chlorophenoxy)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 154750697
2-[[(1S,6R)-6-carboxycyclohex-3-ene-1-carbonyl]amino]benzoic acid
CID 747081
(1R,2S,4S)-N-[2-(2-cyanoethylsulfanyl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98160591
N-(2,5-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42905929
(1R,2S,4S)-N-(4-acetamidophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98514685
(1R,2S,4S)-N-[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 100901111
2-(2-bicyclo[2.2.1]hept-5-enyl)benzoic acid
CID 23025177
N-(4-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42906596

Frequently Asked Questions

What is the IUPAC name of 2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)benzoic acid?
The IUPAC name of 2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)benzoic acid (CID 24701586) is 2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)benzoic acid.
What is the SMILES notation for 2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)benzoic acid?
The canonical SMILES for 2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)benzoic acid is O=C(O)c1ccccc1NC(=O)C1CC2C=CC1C2.
What is the InChIKey of 2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)benzoic acid?
The InChIKey is NTJYBEFXVTXOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c17-14(12-8-9-5-6-10(12)7-9)16-13-4-2-1-3-11(13)15(18)19/h1-6,9-10,12H,7-8H2,(H,16,17)(H,18,19).
What are the key properties of 2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)benzoic acid?
2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)benzoic acid has a molecular weight of 257.29 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)benzoic acid is sourced from PubChem (CID 24701586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).