(E)-2-cyano-N-morpholin-4-yl-3-(4-nitrophenyl)prop-2-enamide

C14H14N4O4 — CID 10447631

IUPAC(E)-2-cyano-N-morpholin-4-yl-3-(4-nitrophenyl)prop-2-enamide
SMILESN#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NN1CCOCC1
InChIInChI=1S/C14H14N4O4/c15-10-12(14(19)16-17-5-7-22-8-6-17)9-11-1-3-13(4-2-11)18(20)21/h1-4,9H,5-8H2,(H,16,19)/b12-9+
InChIKeyUIDICLMLDHIAGP-FMIVXFBMSA-N
MW302.29 g/mol
LogP0.87
Rot. Bonds4

About (E)-2-cyano-N-morpholin-4-yl-3-(4-nitrophenyl)prop-2-enamide

(E)-2-cyano-N-morpholin-4-yl-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 10447631) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is (E)-2-cyano-N-morpholin-4-yl-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-morpholin-4-yl-3-(4-nitrophenyl)prop-2-enamide
PubChem CID10447631
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC Name(E)-2-cyano-N-morpholin-4-yl-3-(4-nitrophenyl)prop-2-enamide
SMILESN#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NN1CCOCC1
InChIInChI=1S/C14H14N4O4/c15-10-12(14(19)16-17-5-7-22-8-6-17)9-11-1-3-13(4-2-11)18(20)21/h1-4,9H,5-8H2,(H,16,19)/b12-9+
InChIKeyUIDICLMLDHIAGP-FMIVXFBMSA-N
XLogP0.87
TPSA108.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'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 (E)-2-cyano-N-morpholin-4-yl-3-(4-nitrophenyl)prop-2-enamide 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

(E)-2-cyano-3-(4-nitrophenyl)prop-2-enamide
CID 736695
(E)-2-cyano-3-(4-nitrophenyl)prop-2-enoic acid
CID 5328789
(Z)-2-cyano-3-morpholin-4-yl-N-(4-nitrophenyl)prop-2-enamide
CID 108852937
(E)-2-cyano-N-methyl-3-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 7824488
2-cyano-3-(4-fluorophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 3134707
(E)-2-cyano-3-(4-morpholin-4-ylphenyl)-N-propan-2-ylprop-2-enamide
CID 7939296
3-[[(Z)-2-cyano-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid
CID 124552077
(Z)-2-cyano-3-(2-morpholin-4-yl-5-nitrophenyl)-N-phenylprop-2-enamide
CID 126008290
(Z)-2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 2439628
(Z)-2-cyano-N-(4-ethylphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 2713670
(E)-2-cyano-N-(4-ethylphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 2713671
2-cyano-N-(4-ethylphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 4002691

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-morpholin-4-yl-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-morpholin-4-yl-3-(4-nitrophenyl)prop-2-enamide (CID 10447631) is (E)-2-cyano-N-morpholin-4-yl-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-morpholin-4-yl-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-morpholin-4-yl-3-(4-nitrophenyl)prop-2-enamide is N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NN1CCOCC1.
What is the InChIKey of (E)-2-cyano-N-morpholin-4-yl-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is UIDICLMLDHIAGP-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H14N4O4/c15-10-12(14(19)16-17-5-7-22-8-6-17)9-11-1-3-13(4-2-11)18(20)21/h1-4,9H,5-8H2,(H,16,19)/b12-9+.
What are the key properties of (E)-2-cyano-N-morpholin-4-yl-3-(4-nitrophenyl)prop-2-enamide?
(E)-2-cyano-N-morpholin-4-yl-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 302.29 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-morpholin-4-yl-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 10447631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).