4-amino-N-(2,3-dimethylphenyl)cyclopent-2-ene-1-carboxamide

C14H18N2O — CID 79211393

IUPAC4-amino-N-(2,3-dimethylphenyl)cyclopent-2-ene-1-carboxamide
SMILESCc1cccc(NC(=O)C2C=CC(N)C2)c1C
InChIInChI=1S/C14H18N2O/c1-9-4-3-5-13(10(9)2)16-14(17)11-6-7-12(15)8-11/h3-7,11-12H,8,15H2,1-2H3,(H,16,17)
InChIKeyWPYMBDRUMVRCAL-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.15
Rot. Bonds2

About 4-amino-N-(2,3-dimethylphenyl)cyclopent-2-ene-1-carboxamide

4-amino-N-(2,3-dimethylphenyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79211393) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-amino-N-(2,3-dimethylphenyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,3-dimethylphenyl)cyclopent-2-ene-1-carboxamide
PubChem CID79211393
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-amino-N-(2,3-dimethylphenyl)cyclopent-2-ene-1-carboxamide
SMILESCc1cccc(NC(=O)C2C=CC(N)C2)c1C
InChIInChI=1S/C14H18N2O/c1-9-4-3-5-13(10(9)2)16-14(17)11-6-7-12(15)8-11/h3-7,11-12H,8,15H2,1-2H3,(H,16,17)
InChIKeyWPYMBDRUMVRCAL-UHFFFAOYSA-N
XLogP2.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.15
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

4-amino-N-[2-methyl-3-(propanoylamino)phenyl]cyclopent-2-ene-1-carboxamide
CID 79208809
4-amino-N-(2-propan-2-ylphenyl)cyclopent-2-ene-1-carboxamide
CID 79211306
4-amino-N-(2-methoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79211303
2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-6-chlorobenzoic acid
CID 79208298
4-amino-N-(2-propylphenyl)cyclopent-2-ene-1-carboxamide
CID 79210939
N-(2,3-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42906227
4-amino-N-(2,3-dimethylphenyl)oxolane-3-carboxamide
CID 66240994
4-amino-N-[2-(difluoromethoxy)phenyl]cyclopent-2-ene-1-carboxamide
CID 79210360
1-N-(2,3-dimethylphenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109140804
4-amino-N-(1,3-dimethylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide
CID 102805596
4-amino-N-(3-chloro-4-methylphenyl)cyclopent-2-ene-1-carboxamide
CID 79211066
4-amino-N-(2-bromo-4-chlorophenyl)cyclopent-2-ene-1-carboxamide
CID 81263521

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3-dimethylphenyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(2,3-dimethylphenyl)cyclopent-2-ene-1-carboxamide (CID 79211393) is 4-amino-N-(2,3-dimethylphenyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2,3-dimethylphenyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(2,3-dimethylphenyl)cyclopent-2-ene-1-carboxamide is Cc1cccc(NC(=O)C2C=CC(N)C2)c1C.
What is the InChIKey of 4-amino-N-(2,3-dimethylphenyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is WPYMBDRUMVRCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9-4-3-5-13(10(9)2)16-14(17)11-6-7-12(15)8-11/h3-7,11-12H,8,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-(2,3-dimethylphenyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(2,3-dimethylphenyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,3-dimethylphenyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79211393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).