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

C14H17N3O3 — CID 79210965

IUPAC4-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopent-2-ene-1-carboxamide
SMILESCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1C=CC(N)C1
InChIInChI=1S/C14H17N3O3/c1-16(14(18)11-5-6-12(15)8-11)9-10-3-2-4-13(7-10)17(19)20/h2-7,11-12H,8-9,15H2,1H3
InChIKeyXMJLNAUXLCPFIU-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.46
Rot. Bonds4

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

4-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopent-2-ene-1-carboxamide (PubChem CID 79210965) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopent-2-ene-1-carboxamide
PubChem CID79210965
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopent-2-ene-1-carboxamide
SMILESCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1C=CC(N)C1
InChIInChI=1S/C14H17N3O3/c1-16(14(18)11-5-6-12(15)8-11)9-10-3-2-4-13(7-10)17(19)20/h2-7,11-12H,8-9,15H2,1H3
InChIKeyXMJLNAUXLCPFIU-UHFFFAOYSA-N
XLogP1.46
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
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-hydroxy-N-methyl-N-[(3-nitrophenyl)methyl]pyrrolidine-2-carboxamide
CID 60944721
(2S)-N-methyl-N-[(3-nitrophenyl)methyl]pyrrolidine-2-carboxamide
CID 61165078
1-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopropane-1-carboxamide
CID 65464041
2-amino-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 54871470
2-bromo-N-methyl-N-[(3-nitrophenyl)methyl]acetamide
CID 63681423
2-(aminomethyl)-N-methyl-N-[(3-nitrophenyl)methyl]butanamide
CID 65227283
2-chloro-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 54875128
2-methoxy-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 112685838
2-amino-N,3-dimethyl-N-[(3-nitrophenyl)methyl]pentanamide
CID 60944611
(2S)-2-benzyl-N-methyl-N-[(3-nitrophenyl)methyl]-4-oxoazetidine-1-carboxamide
CID 10570052
4-amino-N-ethyl-N-methylcyclopent-2-ene-1-carboxamide
CID 79211003
2-amino-N-methyl-N-[(3-nitrophenyl)methyl]-2-thiophen-2-ylacetamide
CID 115286632

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopent-2-ene-1-carboxamide (CID 79210965) is 4-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopent-2-ene-1-carboxamide is CN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopent-2-ene-1-carboxamide?
The InChIKey is XMJLNAUXLCPFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-16(14(18)11-5-6-12(15)8-11)9-10-3-2-4-13(7-10)17(19)20/h2-7,11-12H,8-9,15H2,1H3.
What are the key properties of 4-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopent-2-ene-1-carboxamide?
4-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopent-2-ene-1-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79210965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).