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

C14H14N4O4 — CID 108852937

IUPAC(Z)-2-cyano-3-morpholin-4-yl-N-(4-nitrophenyl)prop-2-enamide
SMILESN#C/C(=C/N1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H14N4O4/c15-9-11(10-17-5-7-22-8-6-17)14(19)16-12-1-3-13(4-2-12)18(20)21/h1-4,10H,5-8H2,(H,16,19)/b11-10-
InChIKeyKMYSAMDESPYCNM-KHPPLWFESA-N
MW302.29 g/mol
LogP1.27
Rot. Bonds4

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

(Z)-2-cyano-3-morpholin-4-yl-N-(4-nitrophenyl)prop-2-enamide (PubChem CID 108852937) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is (Z)-2-cyano-3-morpholin-4-yl-N-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-morpholin-4-yl-N-(4-nitrophenyl)prop-2-enamide
PubChem CID108852937
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC Name(Z)-2-cyano-3-morpholin-4-yl-N-(4-nitrophenyl)prop-2-enamide
SMILESN#C/C(=C/N1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H14N4O4/c15-9-11(10-17-5-7-22-8-6-17)14(19)16-12-1-3-13(4-2-12)18(20)21/h1-4,10H,5-8H2,(H,16,19)/b11-10-
InChIKeyKMYSAMDESPYCNM-KHPPLWFESA-N
XLogP1.27
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 ≤ 51.27
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'}

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Related Compounds

(Z)-2-cyano-N-(4-nitrophenyl)-3-(4-phenylpiperazin-1-yl)prop-2-enamide
CID 108853152
(Z)-2-cyano-3-(4-methylsulfonylpiperazin-1-yl)-N-(4-nitrophenyl)prop-2-enamide
CID 108853223
(Z)-2-cyano-3-(2,6-dimethylmorpholin-4-yl)-N-(4-nitrophenyl)prop-2-enamide
CID 108852902
(Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(4-nitrophenyl)prop-2-enamide
CID 108853010
(Z)-2-cyano-N-(3,4-dichlorophenyl)-3-morpholin-4-ylprop-2-enamide
CID 108821717
(Z)-2-cyano-3-(2-morpholin-4-yl-5-nitrophenyl)-N-phenylprop-2-enamide
CID 126008290
(Z)-2-cyano-3-(4-methylpiperidin-1-yl)-N-(3-nitrophenyl)prop-2-enamide
CID 108853278
(Z)-N-(4-chlorophenyl)-2-cyano-3-piperidin-1-ylprop-2-enamide
CID 108860772
(Z)-2-cyano-3-morpholin-4-yl-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 108851082
(E)-2-cyano-N-morpholin-4-yl-3-(4-nitrophenyl)prop-2-enamide
CID 10447631
(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-morpholin-4-ylprop-2-enamide
CID 108825445
(Z)-2-cyano-N-(4-hydroxyphenyl)-3-piperazin-1-ylprop-2-enamide
CID 108827245

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-morpholin-4-yl-N-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-morpholin-4-yl-N-(4-nitrophenyl)prop-2-enamide (CID 108852937) is (Z)-2-cyano-3-morpholin-4-yl-N-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-morpholin-4-yl-N-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-morpholin-4-yl-N-(4-nitrophenyl)prop-2-enamide is N#C/C(=C/N1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (Z)-2-cyano-3-morpholin-4-yl-N-(4-nitrophenyl)prop-2-enamide?
The InChIKey is KMYSAMDESPYCNM-KHPPLWFESA-N. The full InChI is InChI=1S/C14H14N4O4/c15-9-11(10-17-5-7-22-8-6-17)14(19)16-12-1-3-13(4-2-12)18(20)21/h1-4,10H,5-8H2,(H,16,19)/b11-10-.
What are the key properties of (Z)-2-cyano-3-morpholin-4-yl-N-(4-nitrophenyl)prop-2-enamide?
(Z)-2-cyano-3-morpholin-4-yl-N-(4-nitrophenyl)prop-2-enamide has a molecular weight of 302.29 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-morpholin-4-yl-N-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 108852937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).