4-amino-N-(2-methoxyphenyl)cyclopent-2-ene-1-carboxamide

C13H16N2O2 — CID 79211303

IUPAC4-amino-N-(2-methoxyphenyl)cyclopent-2-ene-1-carboxamide
SMILESCOc1ccccc1NC(=O)C1C=CC(N)C1
InChIInChI=1S/C13H16N2O2/c1-17-12-5-3-2-4-11(12)15-13(16)9-6-7-10(14)8-9/h2-7,9-10H,8,14H2,1H3,(H,15,16)
InChIKeyUOBVHBZNEDEZMP-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.54
Rot. Bonds3

About 4-amino-N-(2-methoxyphenyl)cyclopent-2-ene-1-carboxamide

4-amino-N-(2-methoxyphenyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79211303) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-amino-N-(2-methoxyphenyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methoxyphenyl)cyclopent-2-ene-1-carboxamide
PubChem CID79211303
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-amino-N-(2-methoxyphenyl)cyclopent-2-ene-1-carboxamide
SMILESCOc1ccccc1NC(=O)C1C=CC(N)C1
InChIInChI=1S/C13H16N2O2/c1-17-12-5-3-2-4-11(12)15-13(16)9-6-7-10(14)8-9/h2-7,9-10H,8,14H2,1H3,(H,15,16)
InChIKeyUOBVHBZNEDEZMP-UHFFFAOYSA-N
XLogP1.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(difluoromethoxy)phenyl]cyclopent-2-ene-1-carboxamide
CID 79210360
4-amino-N-(5-bromo-2-methoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79207502
4-amino-N-(2-propan-2-ylphenyl)cyclopent-2-ene-1-carboxamide
CID 79211306
4-amino-N-(2-propylphenyl)cyclopent-2-ene-1-carboxamide
CID 79210939
4-amino-N-(3-methoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79211392
2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-5-methoxybenzoic acid
CID 115411484
4-amino-N-[2-methyl-3-(propanoylamino)phenyl]cyclopent-2-ene-1-carboxamide
CID 79208809
4-amino-N-(2-ethoxy-3-pyridinyl)cyclopent-2-ene-1-carboxamide
CID 79210696
(1R,2S,3S,4S)-3-[(2-methoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 727817
4-amino-N-(4-methyl-2-propoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79210955
(1R,2R,4R,5R)-N-(2-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98052094
(1R,2S,4R,5R)-N-(2-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98052092

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methoxyphenyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(2-methoxyphenyl)cyclopent-2-ene-1-carboxamide (CID 79211303) is 4-amino-N-(2-methoxyphenyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methoxyphenyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(2-methoxyphenyl)cyclopent-2-ene-1-carboxamide is COc1ccccc1NC(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-(2-methoxyphenyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is UOBVHBZNEDEZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-17-12-5-3-2-4-11(12)15-13(16)9-6-7-10(14)8-9/h2-7,9-10H,8,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-(2-methoxyphenyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(2-methoxyphenyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 232.28 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methoxyphenyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79211303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).