(Z)-2-(4-chlorophenyl)-3-(furan-2-yl)prop-2-enenitrile

C13H8ClNO — CID 696729

IUPAC(Z)-2-(4-chlorophenyl)-3-(furan-2-yl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C13H8ClNO/c14-12-5-3-10(4-6-12)11(9-15)8-13-2-1-7-16-13/h1-8H/b11-8+
InChIKeyQRCXABRYUUSBED-DHZHZOJOSA-N
MW229.67 g/mol
LogP4.00
Rot. Bonds2

About (Z)-2-(4-chlorophenyl)-3-(furan-2-yl)prop-2-enenitrile

(Z)-2-(4-chlorophenyl)-3-(furan-2-yl)prop-2-enenitrile (PubChem CID 696729) has the molecular formula C13H8ClNO and a molecular weight of 229.67 g/mol. Its IUPAC name is (Z)-2-(4-chlorophenyl)-3-(furan-2-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(4-chlorophenyl)-3-(furan-2-yl)prop-2-enenitrile
PubChem CID696729
Molecular FormulaC13H8ClNO
Molecular Weight229.67 g/mol
Exact Mass229.03
IUPAC Name(Z)-2-(4-chlorophenyl)-3-(furan-2-yl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C13H8ClNO/c14-12-5-3-10(4-6-12)11(9-15)8-13-2-1-7-16-13/h1-8H/b11-8+
InChIKeyQRCXABRYUUSBED-DHZHZOJOSA-N
XLogP4.00
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 54.00
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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-chlorophenyl)-3-(furan-2-yl)prop-2-enenitrile?
The IUPAC name of (Z)-2-(4-chlorophenyl)-3-(furan-2-yl)prop-2-enenitrile (CID 696729) is (Z)-2-(4-chlorophenyl)-3-(furan-2-yl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(4-chlorophenyl)-3-(furan-2-yl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-(4-chlorophenyl)-3-(furan-2-yl)prop-2-enenitrile is N#C/C(=C\c1ccco1)c1ccc(Cl)cc1.
What is the InChIKey of (Z)-2-(4-chlorophenyl)-3-(furan-2-yl)prop-2-enenitrile?
The InChIKey is QRCXABRYUUSBED-DHZHZOJOSA-N. The full InChI is InChI=1S/C13H8ClNO/c14-12-5-3-10(4-6-12)11(9-15)8-13-2-1-7-16-13/h1-8H/b11-8+.
What are the key properties of (Z)-2-(4-chlorophenyl)-3-(furan-2-yl)prop-2-enenitrile?
(Z)-2-(4-chlorophenyl)-3-(furan-2-yl)prop-2-enenitrile has a molecular weight of 229.67 g/mol, XLogP of 4.00, 2 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-(furan-2-yl)prop-2-enenitrile is sourced from PubChem (CID 696729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).