(4-cyanophenyl) (E)-3-(4-nitrophenyl)prop-2-enoate

C16H10N2O4 — CID 8765921

IUPAC(4-cyanophenyl) (E)-3-(4-nitrophenyl)prop-2-enoate
SMILESN#Cc1ccc(OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H10N2O4/c17-11-13-3-8-15(9-4-13)22-16(19)10-5-12-1-6-14(7-2-12)18(20)21/h1-10H/b10-5+
InChIKeyCZAYXSRPDYNWCG-BJMVGYQFSA-N
MW294.27 g/mol
LogP3.09
Rot. Bonds4

About (4-cyanophenyl) (E)-3-(4-nitrophenyl)prop-2-enoate

(4-cyanophenyl) (E)-3-(4-nitrophenyl)prop-2-enoate (PubChem CID 8765921) has the molecular formula C16H10N2O4 and a molecular weight of 294.27 g/mol. Its IUPAC name is (4-cyanophenyl) (E)-3-(4-nitrophenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-cyanophenyl) (E)-3-(4-nitrophenyl)prop-2-enoate
PubChem CID8765921
Molecular FormulaC16H10N2O4
Molecular Weight294.27 g/mol
Exact Mass294.06
IUPAC Name(4-cyanophenyl) (E)-3-(4-nitrophenyl)prop-2-enoate
SMILESN#Cc1ccc(OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H10N2O4/c17-11-13-3-8-15(9-4-13)22-16(19)10-5-12-1-6-14(7-2-12)18(20)21/h1-10H/b10-5+
InChIKeyCZAYXSRPDYNWCG-BJMVGYQFSA-N
XLogP3.09
TPSA93.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

phenyl (E)-3-(4-nitrophenyl)prop-2-enoate
CID 8765455
(4-cyanophenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 4117354
methyl 4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]oxybenzoate
CID 2404751
methyl 4-[(E)-3-(4-cyanophenoxy)-3-oxoprop-1-enyl]benzoate
CID 8765861
(3,4-dimethylphenyl) (E)-3-(4-nitrophenyl)prop-2-enoate
CID 2397320
(4-nitrophenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 43013492
(4-nitrophenyl) (E)-3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoate
CID 98469177
(4-nitrophenyl) (E)-3-(3-methylphenyl)prop-2-enoate
CID 43000272
(4-nitrophenyl) (E)-3-(3-fluorophenyl)prop-2-enoate
CID 8764606
(4-nitrophenyl) (Z)-4-amino-4-oxobut-2-enoate
CID 67832238
(E)-3-(4-nitrophenyl)prop-2-enoyl cyanide
CID 20510489
(3-methyl-4-propan-2-ylphenyl) (E)-3-(4-nitrophenyl)prop-2-enoate
CID 7927196

Frequently Asked Questions

What is the IUPAC name of (4-cyanophenyl) (E)-3-(4-nitrophenyl)prop-2-enoate?
The IUPAC name of (4-cyanophenyl) (E)-3-(4-nitrophenyl)prop-2-enoate (CID 8765921) is (4-cyanophenyl) (E)-3-(4-nitrophenyl)prop-2-enoate.
What is the SMILES notation for (4-cyanophenyl) (E)-3-(4-nitrophenyl)prop-2-enoate?
The canonical SMILES for (4-cyanophenyl) (E)-3-(4-nitrophenyl)prop-2-enoate is N#Cc1ccc(OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of (4-cyanophenyl) (E)-3-(4-nitrophenyl)prop-2-enoate?
The InChIKey is CZAYXSRPDYNWCG-BJMVGYQFSA-N. The full InChI is InChI=1S/C16H10N2O4/c17-11-13-3-8-15(9-4-13)22-16(19)10-5-12-1-6-14(7-2-12)18(20)21/h1-10H/b10-5+.
What are the key properties of (4-cyanophenyl) (E)-3-(4-nitrophenyl)prop-2-enoate?
(4-cyanophenyl) (E)-3-(4-nitrophenyl)prop-2-enoate has a molecular weight of 294.27 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanophenyl) (E)-3-(4-nitrophenyl)prop-2-enoate is sourced from PubChem (CID 8765921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).