(2Z)-2-nitro-N-phenyl-2-pyrrolidin-2-ylideneacetamide

C12H13N3O3 — CID 6529476

IUPAC(2Z)-2-nitro-N-phenyl-2-pyrrolidin-2-ylideneacetamide
SMILESO=C(Nc1ccccc1)/C(=C1\CCCN1)[N+](=O)[O-]
InChIInChI=1S/C12H13N3O3/c16-12(14-9-5-2-1-3-6-9)11(15(17)18)10-7-4-8-13-10/h1-3,5-6,13H,4,7-8H2,(H,14,16)/b11-10-
InChIKeyJCEWTBKLLBBLQY-KHPPLWFESA-N
MW247.25 g/mol
LogP1.50
Rot. Bonds3

About (2Z)-2-nitro-N-phenyl-2-pyrrolidin-2-ylideneacetamide

(2Z)-2-nitro-N-phenyl-2-pyrrolidin-2-ylideneacetamide (PubChem CID 6529476) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is (2Z)-2-nitro-N-phenyl-2-pyrrolidin-2-ylideneacetamide.

Molecular Properties

Compound Name(2Z)-2-nitro-N-phenyl-2-pyrrolidin-2-ylideneacetamide
PubChem CID6529476
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name(2Z)-2-nitro-N-phenyl-2-pyrrolidin-2-ylideneacetamide
SMILESO=C(Nc1ccccc1)/C(=C1\CCCN1)[N+](=O)[O-]
InChIInChI=1S/C12H13N3O3/c16-12(14-9-5-2-1-3-6-9)11(15(17)18)10-7-4-8-13-10/h1-3,5-6,13H,4,7-8H2,(H,14,16)/b11-10-
InChIKeyJCEWTBKLLBBLQY-KHPPLWFESA-N
XLogP1.50
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2Z)-2-nitro-N-phenyl-2-pyrrolidin-2-ylideneacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-nitro-N-phenyl-2-pyrrolidin-2-ylideneacetamide?
The IUPAC name of (2Z)-2-nitro-N-phenyl-2-pyrrolidin-2-ylideneacetamide (CID 6529476) is (2Z)-2-nitro-N-phenyl-2-pyrrolidin-2-ylideneacetamide.
What is the SMILES notation for (2Z)-2-nitro-N-phenyl-2-pyrrolidin-2-ylideneacetamide?
The canonical SMILES for (2Z)-2-nitro-N-phenyl-2-pyrrolidin-2-ylideneacetamide is O=C(Nc1ccccc1)/C(=C1\CCCN1)[N+](=O)[O-].
What is the InChIKey of (2Z)-2-nitro-N-phenyl-2-pyrrolidin-2-ylideneacetamide?
The InChIKey is JCEWTBKLLBBLQY-KHPPLWFESA-N. The full InChI is InChI=1S/C12H13N3O3/c16-12(14-9-5-2-1-3-6-9)11(15(17)18)10-7-4-8-13-10/h1-3,5-6,13H,4,7-8H2,(H,14,16)/b11-10-.
What are the key properties of (2Z)-2-nitro-N-phenyl-2-pyrrolidin-2-ylideneacetamide?
(2Z)-2-nitro-N-phenyl-2-pyrrolidin-2-ylideneacetamide has a molecular weight of 247.25 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-nitro-N-phenyl-2-pyrrolidin-2-ylideneacetamide is sourced from PubChem (CID 6529476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).