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

C13H15N3O3 — CID 79211476

IUPAC4-amino-N-(4-methyl-3-nitrophenyl)cyclopent-2-ene-1-carboxamide
SMILESCc1ccc(NC(=O)C2C=CC(N)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H15N3O3/c1-8-2-5-11(7-12(8)16(18)19)15-13(17)9-3-4-10(14)6-9/h2-5,7,9-10H,6,14H2,1H3,(H,15,17)
InChIKeyFHFPEAHUHITKRW-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.75
Rot. Bonds3

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

4-amino-N-(4-methyl-3-nitrophenyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79211476) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-amino-N-(4-methyl-3-nitrophenyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-methyl-3-nitrophenyl)cyclopent-2-ene-1-carboxamide
PubChem CID79211476
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name4-amino-N-(4-methyl-3-nitrophenyl)cyclopent-2-ene-1-carboxamide
SMILESCc1ccc(NC(=O)C2C=CC(N)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H15N3O3/c1-8-2-5-11(7-12(8)16(18)19)15-13(17)9-3-4-10(14)6-9/h2-5,7,9-10H,6,14H2,1H3,(H,15,17)
InChIKeyFHFPEAHUHITKRW-UHFFFAOYSA-N
XLogP1.75
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(3,4-dichlorophenyl)cyclopent-2-ene-1-carboxamide
CID 79210508
N-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981663
(1S,2R,3S,4R)-3-[(4-methyl-3-nitrophenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 11903017
2-methyl-N-(4-methyl-3-nitrophenyl)pyrrolidine-3-carboxamide
CID 79382754
3-methyl-N-(4-methyl-3-nitrophenyl)pyrrolidine-2-carboxamide
CID 102777058
N-(4-methyl-3-nitrophenyl)-6-oxopiperidine-3-carboxamide
CID 74570841
3-methyl-N-(4-methyl-3-nitrophenyl)piperidine-2-carboxamide
CID 107067148
2,3-dimethyl-4-(4-methyl-3-nitroanilino)-4-oxobutanoic acid
CID 103496212
1-ethylsulfonyl-N-(4-methyl-3-nitrophenyl)piperidine-4-carboxamide
CID 18200116
1-cyclopropyl-3-(4-methyl-3-nitrophenyl)thiourea
CID 7942249
3-amino-2-methyl-N-(4-methyl-3-nitrophenyl)propanamide
CID 62669230
2-amino-N-(4-methyl-3-nitrophenyl)butanamide
CID 43649478

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methyl-3-nitrophenyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(4-methyl-3-nitrophenyl)cyclopent-2-ene-1-carboxamide (CID 79211476) is 4-amino-N-(4-methyl-3-nitrophenyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(4-methyl-3-nitrophenyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(4-methyl-3-nitrophenyl)cyclopent-2-ene-1-carboxamide is Cc1ccc(NC(=O)C2C=CC(N)C2)cc1[N+](=O)[O-].
What is the InChIKey of 4-amino-N-(4-methyl-3-nitrophenyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is FHFPEAHUHITKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8-2-5-11(7-12(8)16(18)19)15-13(17)9-3-4-10(14)6-9/h2-5,7,9-10H,6,14H2,1H3,(H,15,17).
What are the key properties of 4-amino-N-(4-methyl-3-nitrophenyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(4-methyl-3-nitrophenyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-methyl-3-nitrophenyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79211476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).