N-(2,3-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

C16H19NO — CID 42906227

IUPACN-(2,3-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCc1cccc(NC(=O)C2CC3C=CC2C3)c1C
InChIInChI=1S/C16H19NO/c1-10-4-3-5-15(11(10)2)17-16(18)14-9-12-6-7-13(14)8-12/h3-7,12-14H,8-9H2,1-2H3,(H,17,18)
InChIKeyYOIUVDDAOFMEQB-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.45
Rot. Bonds2

About N-(2,3-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-(2,3-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 42906227) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID42906227
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-(2,3-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCc1cccc(NC(=O)C2CC3C=CC2C3)c1C
InChIInChI=1S/C16H19NO/c1-10-4-3-5-15(11(10)2)17-16(18)14-9-12-6-7-13(14)8-12/h3-7,12-14H,8-9H2,1-2H3,(H,17,18)
InChIKeyYOIUVDDAOFMEQB-UHFFFAOYSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.45
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

N-(2,5-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42905929
(1R,2R,4S)-N-(2-ethyl-6-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98378388
(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
2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)benzoic acid
CID 24701586
N-(2,3-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382669
1-N-(2,3-dimethylphenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109140804
N-(4-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42906596
2-N-(4-acetamidophenyl)-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141946
(1R,2S,4S)-N-(4-acetamidophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98514685
(1R,6R)-6-[(2,3-dimethylphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate
CID 7334021
trans-(1S,2S)-2-[(2,3-dimethylphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6951012

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 42906227) is N-(2,3-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is Cc1cccc(NC(=O)C2CC3C=CC2C3)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is YOIUVDDAOFMEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-10-4-3-5-15(11(10)2)17-16(18)14-9-12-6-7-13(14)8-12/h3-7,12-14H,8-9H2,1-2H3,(H,17,18).
What are the key properties of N-(2,3-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-(2,3-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 42906227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).