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

C13H16N2O2 — CID 79211392

IUPAC4-amino-N-(3-methoxyphenyl)cyclopent-2-ene-1-carboxamide
SMILESCOc1cccc(NC(=O)C2C=CC(N)C2)c1
InChIInChI=1S/C13H16N2O2/c1-17-12-4-2-3-11(8-12)15-13(16)9-5-6-10(14)7-9/h2-6,8-10H,7,14H2,1H3,(H,15,16)
InChIKeyGRZBLPSTEIFSKS-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.54
Rot. Bonds3

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

4-amino-N-(3-methoxyphenyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79211392) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-amino-N-(3-methoxyphenyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-methoxyphenyl)cyclopent-2-ene-1-carboxamide
PubChem CID79211392
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-amino-N-(3-methoxyphenyl)cyclopent-2-ene-1-carboxamide
SMILESCOc1cccc(NC(=O)C2C=CC(N)C2)c1
InChIInChI=1S/C13H16N2O2/c1-17-12-4-2-3-11(8-12)15-13(16)9-5-6-10(14)7-9/h2-6,8-10H,7,14H2,1H3,(H,15,16)
InChIKeyGRZBLPSTEIFSKS-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-(3,5-dimethoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79210585
4-amino-N-(3-propoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79210859
N-(3-acetylphenyl)-4-aminocyclopent-2-ene-1-carboxamide
CID 79207031
4-amino-N-(3-fluoro-5-methoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 114263126
ethyl 3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]benzoate
CID 79207693
(1S,2R,3S,4R)-2-N,3-N-bis(3-methoxyphenyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 6967054
4-amino-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 60848992
(1R,2R,4R,5R)-N-(3-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98160421
(1R,2S,3S,4R)-3-[(3-methoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 23306820
(1S)-N-(3-methoxyphenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 780566
4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]cyclopent-2-ene-1-carboxamide
CID 79209042
(1S,2R,3S,4S)-3-[(3-methoxyphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 51021594

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methoxyphenyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(3-methoxyphenyl)cyclopent-2-ene-1-carboxamide (CID 79211392) is 4-amino-N-(3-methoxyphenyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(3-methoxyphenyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(3-methoxyphenyl)cyclopent-2-ene-1-carboxamide is COc1cccc(NC(=O)C2C=CC(N)C2)c1.
What is the InChIKey of 4-amino-N-(3-methoxyphenyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is GRZBLPSTEIFSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-17-12-4-2-3-11(8-12)15-13(16)9-5-6-10(14)7-9/h2-6,8-10H,7,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-(3-methoxyphenyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(3-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-(3-methoxyphenyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79211392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).