(2Z)-2-(4-chlorophenyl)-2-pyrrolidin-2-ylideneacetonitrile

C12H11ClN2 — CID 23452499

IUPAC(2Z)-2-(4-chlorophenyl)-2-pyrrolidin-2-ylideneacetonitrile
SMILESN#C/C(=C1/CCCN1)c1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2/c13-10-5-3-9(4-6-10)11(8-14)12-2-1-7-15-12/h3-6,15H,1-2,7H2/b12-11+
InChIKeyLIAISSHAWLDEEF-VAWYXSNFSA-N
MW218.69 g/mol
LogP2.96
Rot. Bonds1

About (2Z)-2-(4-chlorophenyl)-2-pyrrolidin-2-ylideneacetonitrile

(2Z)-2-(4-chlorophenyl)-2-pyrrolidin-2-ylideneacetonitrile (PubChem CID 23452499) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is (2Z)-2-(4-chlorophenyl)-2-pyrrolidin-2-ylideneacetonitrile.

Molecular Properties

Compound Name(2Z)-2-(4-chlorophenyl)-2-pyrrolidin-2-ylideneacetonitrile
PubChem CID23452499
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name(2Z)-2-(4-chlorophenyl)-2-pyrrolidin-2-ylideneacetonitrile
SMILESN#C/C(=C1/CCCN1)c1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2/c13-10-5-3-9(4-6-10)11(8-14)12-2-1-7-15-12/h3-6,15H,1-2,7H2/b12-11+
InChIKeyLIAISSHAWLDEEF-VAWYXSNFSA-N
XLogP2.96
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-3-(4-chlorophenyl)-3-oxo-2-pyrrolidin-2-ylidenepropanenitrile;(2Z)-3-(4-chlorophenyl)-2-pyrrolidin-2-ylidene-3-sulfanylidenepropanenitrile
CID 161249954
(2E)-3-(3,5-dichlorophenyl)-3-oxo-2-pyrrolidin-2-ylidenepropanenitrile
CID 125467142
(2Z)-2-(4-chlorophenyl)-2-(1-methylpyrrolidin-2-ylidene)acetonitrile
CID 70576080
(2Z)-3-(2-chlorophenyl)-3-oxo-2-pyrrolidin-2-ylidenepropanenitrile
CID 59079490
2-(4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylideneacetonitrile
CID 3661962
(2E)-2-(4-chloro-2-fluorophenyl)sulfonyl-2-piperidin-2-ylideneacetonitrile
CID 75527719
(2Z)-3-(4-bromophenyl)-3-oxo-2-piperidin-2-ylidenepropanenitrile
CID 59079496
(1E)-4-chloro-N-[(E)-[(4-chlorophenyl)-cyanomethylidene]amino]benzenecarboximidoyl cyanide
CID 6512564
(2E)-2-(4-chlorophenyl)-2-(3-methyl-4-sulfanylidene-1,3-thiazolidin-2-ylidene)acetonitrile
CID 134112843
2-cyclohexylidene-2-(3,4-dichlorophenyl)acetonitrile
CID 117063466
2-(5-chloro-2-pyridinyl)-2-piperidin-4-ylideneacetonitrile;hydrochloride
CID 171571654
4-[1-(4-chlorophenyl)ethenyl]benzonitrile
CID 54481297

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(4-chlorophenyl)-2-pyrrolidin-2-ylideneacetonitrile?
The IUPAC name of (2Z)-2-(4-chlorophenyl)-2-pyrrolidin-2-ylideneacetonitrile (CID 23452499) is (2Z)-2-(4-chlorophenyl)-2-pyrrolidin-2-ylideneacetonitrile.
What is the SMILES notation for (2Z)-2-(4-chlorophenyl)-2-pyrrolidin-2-ylideneacetonitrile?
The canonical SMILES for (2Z)-2-(4-chlorophenyl)-2-pyrrolidin-2-ylideneacetonitrile is N#C/C(=C1/CCCN1)c1ccc(Cl)cc1.
What is the InChIKey of (2Z)-2-(4-chlorophenyl)-2-pyrrolidin-2-ylideneacetonitrile?
The InChIKey is LIAISSHAWLDEEF-VAWYXSNFSA-N. The full InChI is InChI=1S/C12H11ClN2/c13-10-5-3-9(4-6-10)11(8-14)12-2-1-7-15-12/h3-6,15H,1-2,7H2/b12-11+.
What are the key properties of (2Z)-2-(4-chlorophenyl)-2-pyrrolidin-2-ylideneacetonitrile?
(2Z)-2-(4-chlorophenyl)-2-pyrrolidin-2-ylideneacetonitrile has a molecular weight of 218.69 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(4-chlorophenyl)-2-pyrrolidin-2-ylideneacetonitrile is sourced from PubChem (CID 23452499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).