(Z)-2-(4-chlorophenyl)-3-[1-(4-chlorophenyl)pyrrol-2-yl]prop-2-enenitrile

C19H12Cl2N2 — CID 6311458

IUPAC(Z)-2-(4-chlorophenyl)-3-[1-(4-chlorophenyl)pyrrol-2-yl]prop-2-enenitrile
SMILESN#C/C(=C\c1cccn1-c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H12Cl2N2/c20-16-5-3-14(4-6-16)15(13-22)12-19-2-1-11-23(19)18-9-7-17(21)8-10-18/h1-12H/b15-12+
InChIKeyBULMCVQNYCIRAF-NTCAYCPXSA-N
MW339.23 g/mol
LogP5.85
Rot. Bonds3

About (Z)-2-(4-chlorophenyl)-3-[1-(4-chlorophenyl)pyrrol-2-yl]prop-2-enenitrile

(Z)-2-(4-chlorophenyl)-3-[1-(4-chlorophenyl)pyrrol-2-yl]prop-2-enenitrile (PubChem CID 6311458) has the molecular formula C19H12Cl2N2 and a molecular weight of 339.23 g/mol. Its IUPAC name is (Z)-2-(4-chlorophenyl)-3-[1-(4-chlorophenyl)pyrrol-2-yl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(4-chlorophenyl)-3-[1-(4-chlorophenyl)pyrrol-2-yl]prop-2-enenitrile
PubChem CID6311458
Molecular FormulaC19H12Cl2N2
Molecular Weight339.23 g/mol
Exact Mass338.04
IUPAC Name(Z)-2-(4-chlorophenyl)-3-[1-(4-chlorophenyl)pyrrol-2-yl]prop-2-enenitrile
SMILESN#C/C(=C\c1cccn1-c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H12Cl2N2/c20-16-5-3-14(4-6-16)15(13-22)12-19-2-1-11-23(19)18-9-7-17(21)8-10-18/h1-12H/b15-12+
InChIKeyBULMCVQNYCIRAF-NTCAYCPXSA-N
XLogP5.85
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.23
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

(E)-2-(3-chlorophenyl)-3-[1-(4-chlorophenyl)pyrrol-2-yl]prop-2-enenitrile
CID 94842960
(Z)-2-(4-chlorophenyl)-3-[1-(2-methylprop-1-enyl)pyrrol-2-yl]prop-2-enenitrile
CID 11543743
(E)-2-(4-methylphenyl)-3-(1-phenylpyrrol-2-yl)prop-2-enenitrile
CID 21375345
4-[2-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]pyrrol-1-yl]benzoic acid
CID 21375479
(E)-3-[1-(3,4-dimethylphenyl)pyrrol-2-yl]-2-(4-methylphenyl)prop-2-enenitrile
CID 21375475
2-(2-chlorophenyl)-3-[1-(4-fluorophenyl)pyrrol-2-yl]prop-2-enenitrile
CID 4597635
3-[1-(4-methoxyphenyl)pyrrol-2-yl]-2-naphthalen-2-ylprop-2-enenitrile
CID 3604436
4-[2-[(E)-2-(3-bromophenyl)-2-cyanoethenyl]pyrrol-1-yl]benzoate
CID 7349233
(Z)-3-[1-(3-bromophenyl)pyrrol-2-yl]-2-phenylprop-2-enenitrile
CID 6110751
2-(2-chlorophenyl)-3-[1-(4-nitrophenyl)pyrrol-2-yl]prop-2-enenitrile
CID 3921304
2,3-bis(4-chlorophenyl)prop-2-enenitrile
CID 19419
3-[2-[2-cyano-2-(4-fluorophenyl)ethenyl]pyrrol-1-yl]benzoic acid
CID 2941874

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-chlorophenyl)-3-[1-(4-chlorophenyl)pyrrol-2-yl]prop-2-enenitrile?
The IUPAC name of (Z)-2-(4-chlorophenyl)-3-[1-(4-chlorophenyl)pyrrol-2-yl]prop-2-enenitrile (CID 6311458) is (Z)-2-(4-chlorophenyl)-3-[1-(4-chlorophenyl)pyrrol-2-yl]prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(4-chlorophenyl)-3-[1-(4-chlorophenyl)pyrrol-2-yl]prop-2-enenitrile?
The canonical SMILES for (Z)-2-(4-chlorophenyl)-3-[1-(4-chlorophenyl)pyrrol-2-yl]prop-2-enenitrile is N#C/C(=C\c1cccn1-c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of (Z)-2-(4-chlorophenyl)-3-[1-(4-chlorophenyl)pyrrol-2-yl]prop-2-enenitrile?
The InChIKey is BULMCVQNYCIRAF-NTCAYCPXSA-N. The full InChI is InChI=1S/C19H12Cl2N2/c20-16-5-3-14(4-6-16)15(13-22)12-19-2-1-11-23(19)18-9-7-17(21)8-10-18/h1-12H/b15-12+.
What are the key properties of (Z)-2-(4-chlorophenyl)-3-[1-(4-chlorophenyl)pyrrol-2-yl]prop-2-enenitrile?
(Z)-2-(4-chlorophenyl)-3-[1-(4-chlorophenyl)pyrrol-2-yl]prop-2-enenitrile has a molecular weight of 339.23 g/mol, XLogP of 5.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-chlorophenyl)-3-[1-(4-chlorophenyl)pyrrol-2-yl]prop-2-enenitrile is sourced from PubChem (CID 6311458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).