(Z)-2-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile

C15H8Cl2N2O2 — CID 6017129

IUPAC(Z)-2-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile
SMILESN#C/C(=C\c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H8Cl2N2O2/c16-12-4-5-14(15(17)8-12)11(9-18)6-10-2-1-3-13(7-10)19(20)21/h1-8H/b11-6+
InChIKeyQLABAIQBQNWRFP-IZZDOVSWSA-N
MW319.15 g/mol
LogP4.97
Rot. Bonds3

About (Z)-2-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile

(Z)-2-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile (PubChem CID 6017129) has the molecular formula C15H8Cl2N2O2 and a molecular weight of 319.15 g/mol. Its IUPAC name is (Z)-2-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile
PubChem CID6017129
Molecular FormulaC15H8Cl2N2O2
Molecular Weight319.15 g/mol
Exact Mass318.00
IUPAC Name(Z)-2-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile
SMILESN#C/C(=C\c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H8Cl2N2O2/c16-12-4-5-14(15(17)8-12)11(9-18)6-10-2-1-3-13(7-10)19(20)21/h1-8H/b11-6+
InChIKeyQLABAIQBQNWRFP-IZZDOVSWSA-N
XLogP4.97
TPSA66.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-3-(3-nitrophenyl)prop-2-enenitrile
CID 2973439
2-(2,4-dichlorophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile
CID 4710166
2-(4-chlorophenyl)sulfonyl-3-(3-nitrophenyl)prop-2-enenitrile
CID 5070647
(Z)-2-methyl-3-(3-nitrophenyl)prop-2-enenitrile
CID 102180856
(E)-2-(2,4-dichlorobenzoyl)-3-(4-nitrophenyl)prop-2-enenitrile
CID 21204807
(E)-2-cyano-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(3-nitrophenyl)prop-2-enamide
CID 6280065
(Z)-3-(3-chlorophenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 7121309
2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enenitrile
CID 4255074
(E)-3-(3-iodophenyl)-2-(4-nitrophenyl)prop-2-enenitrile
CID 126349888
(Z)-3-(2,4-dichlorophenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 7373529
2-(1,3-benzoxazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile
CID 3833962
(E)-2-(1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)prop-2-enenitrile
CID 126366430

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile?
The IUPAC name of (Z)-2-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile (CID 6017129) is (Z)-2-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile is N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (Z)-2-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile?
The InChIKey is QLABAIQBQNWRFP-IZZDOVSWSA-N. The full InChI is InChI=1S/C15H8Cl2N2O2/c16-12-4-5-14(15(17)8-12)11(9-18)6-10-2-1-3-13(7-10)19(20)21/h1-8H/b11-6+.
What are the key properties of (Z)-2-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile?
(Z)-2-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile has a molecular weight of 319.15 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enenitrile is sourced from PubChem (CID 6017129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).