2-(cyclopenten-1-yloxy)-N-[(4-nitrophenyl)methylideneamino]acetamide

C14H15N3O4 — CID 4127721

IUPAC2-(cyclopenten-1-yloxy)-N-[(4-nitrophenyl)methylideneamino]acetamide
SMILESO=C(COC1=CCCC1)NN=Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H15N3O4/c18-14(10-21-13-3-1-2-4-13)16-15-9-11-5-7-12(8-6-11)17(19)20/h3,5-9H,1-2,4,10H2,(H,16,18)
InChIKeyJBFQGTFZYJBVMU-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.13
Rot. Bonds6

About 2-(cyclopenten-1-yloxy)-N-[(4-nitrophenyl)methylideneamino]acetamide

2-(cyclopenten-1-yloxy)-N-[(4-nitrophenyl)methylideneamino]acetamide (PubChem CID 4127721) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-(cyclopenten-1-yloxy)-N-[(4-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(cyclopenten-1-yloxy)-N-[(4-nitrophenyl)methylideneamino]acetamide
PubChem CID4127721
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name2-(cyclopenten-1-yloxy)-N-[(4-nitrophenyl)methylideneamino]acetamide
SMILESO=C(COC1=CCCC1)NN=Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H15N3O4/c18-14(10-21-13-3-1-2-4-13)16-15-9-11-5-7-12(8-6-11)17(19)20/h3,5-9H,1-2,4,10H2,(H,16,18)
InChIKeyJBFQGTFZYJBVMU-UHFFFAOYSA-N
XLogP2.13
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(cyclopenten-1-yloxy)-N-[(4-nitrophenyl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3514578
N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 909373
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 6002004
2-naphthalen-2-yloxy-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 774635
2-(2-bromo-4-methylphenoxy)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
CID 6875539
2-(3-chlorophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 7039861
2-(1-bromonaphthalen-2-yl)oxy-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 4633369
2-(2-tert-butylphenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 19165090
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide
CID 5499286
N-[(E)-naphthalen-2-ylmethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 6896409
N-[(Z)-naphthalen-2-ylmethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 5414565
N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6163815

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-yloxy)-N-[(4-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(cyclopenten-1-yloxy)-N-[(4-nitrophenyl)methylideneamino]acetamide (CID 4127721) is 2-(cyclopenten-1-yloxy)-N-[(4-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(cyclopenten-1-yloxy)-N-[(4-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(cyclopenten-1-yloxy)-N-[(4-nitrophenyl)methylideneamino]acetamide is O=C(COC1=CCCC1)NN=Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(cyclopenten-1-yloxy)-N-[(4-nitrophenyl)methylideneamino]acetamide?
The InChIKey is JBFQGTFZYJBVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c18-14(10-21-13-3-1-2-4-13)16-15-9-11-5-7-12(8-6-11)17(19)20/h3,5-9H,1-2,4,10H2,(H,16,18).
What are the key properties of 2-(cyclopenten-1-yloxy)-N-[(4-nitrophenyl)methylideneamino]acetamide?
2-(cyclopenten-1-yloxy)-N-[(4-nitrophenyl)methylideneamino]acetamide has a molecular weight of 289.29 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-yloxy)-N-[(4-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 4127721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).