(Z)-3-chloro-3-(7-hydroxy-1-benzofuran-2-yl)prop-2-enenitrile

C11H6ClNO2 — CID 71481057

IUPAC(Z)-3-chloro-3-(7-hydroxy-1-benzofuran-2-yl)prop-2-enenitrile
SMILESN#C/C=C(\Cl)c1cc2cccc(O)c2o1
InChIInChI=1S/C11H6ClNO2/c12-8(4-5-13)10-6-7-2-1-3-9(14)11(7)15-10/h1-4,6,14H/b8-4-
InChIKeyKSDDQQPDXUYQIX-YWEYNIOJSA-N
MW219.63 g/mol
LogP3.24
Rot. Bonds1

About (Z)-3-chloro-3-(7-hydroxy-1-benzofuran-2-yl)prop-2-enenitrile

(Z)-3-chloro-3-(7-hydroxy-1-benzofuran-2-yl)prop-2-enenitrile (PubChem CID 71481057) has the molecular formula C11H6ClNO2 and a molecular weight of 219.63 g/mol. Its IUPAC name is (Z)-3-chloro-3-(7-hydroxy-1-benzofuran-2-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-chloro-3-(7-hydroxy-1-benzofuran-2-yl)prop-2-enenitrile
PubChem CID71481057
Molecular FormulaC11H6ClNO2
Molecular Weight219.63 g/mol
Exact Mass219.01
IUPAC Name(Z)-3-chloro-3-(7-hydroxy-1-benzofuran-2-yl)prop-2-enenitrile
SMILESN#C/C=C(\Cl)c1cc2cccc(O)c2o1
InChIInChI=1S/C11H6ClNO2/c12-8(4-5-13)10-6-7-2-1-3-9(14)11(7)15-10/h1-4,6,14H/b8-4-
InChIKeyKSDDQQPDXUYQIX-YWEYNIOJSA-N
XLogP3.24
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.63
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-3-chloro-3-(7-hydroxy-1-benzofuran-2-yl)prop-2-enenitrile?
The IUPAC name of (Z)-3-chloro-3-(7-hydroxy-1-benzofuran-2-yl)prop-2-enenitrile (CID 71481057) is (Z)-3-chloro-3-(7-hydroxy-1-benzofuran-2-yl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-chloro-3-(7-hydroxy-1-benzofuran-2-yl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-chloro-3-(7-hydroxy-1-benzofuran-2-yl)prop-2-enenitrile is N#C/C=C(\Cl)c1cc2cccc(O)c2o1.
What is the InChIKey of (Z)-3-chloro-3-(7-hydroxy-1-benzofuran-2-yl)prop-2-enenitrile?
The InChIKey is KSDDQQPDXUYQIX-YWEYNIOJSA-N. The full InChI is InChI=1S/C11H6ClNO2/c12-8(4-5-13)10-6-7-2-1-3-9(14)11(7)15-10/h1-4,6,14H/b8-4-.
What are the key properties of (Z)-3-chloro-3-(7-hydroxy-1-benzofuran-2-yl)prop-2-enenitrile?
(Z)-3-chloro-3-(7-hydroxy-1-benzofuran-2-yl)prop-2-enenitrile has a molecular weight of 219.63 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-3-(7-hydroxy-1-benzofuran-2-yl)prop-2-enenitrile is sourced from PubChem (CID 71481057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).