3-[(Z)-3-chloro-2-methylprop-2-enoxy]-1-benzofuran-2-carbonitrile

C13H10ClNO2 — CID 106438468

IUPAC3-[(Z)-3-chloro-2-methylprop-2-enoxy]-1-benzofuran-2-carbonitrile
SMILESC/C(=C/Cl)COc1c(C#N)oc2ccccc12
InChIInChI=1S/C13H10ClNO2/c1-9(6-14)8-16-13-10-4-2-3-5-11(10)17-12(13)7-15/h2-6H,8H2,1H3/b9-6-
InChIKeyCOBOVODZINYVNN-TWGQIWQCSA-N
MW247.68 g/mol
LogP3.83
Rot. Bonds3

About 3-[(Z)-3-chloro-2-methylprop-2-enoxy]-1-benzofuran-2-carbonitrile

3-[(Z)-3-chloro-2-methylprop-2-enoxy]-1-benzofuran-2-carbonitrile (PubChem CID 106438468) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is 3-[(Z)-3-chloro-2-methylprop-2-enoxy]-1-benzofuran-2-carbonitrile.

Molecular Properties

Compound Name3-[(Z)-3-chloro-2-methylprop-2-enoxy]-1-benzofuran-2-carbonitrile
PubChem CID106438468
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC Name3-[(Z)-3-chloro-2-methylprop-2-enoxy]-1-benzofuran-2-carbonitrile
SMILESC/C(=C/Cl)COc1c(C#N)oc2ccccc12
InChIInChI=1S/C13H10ClNO2/c1-9(6-14)8-16-13-10-4-2-3-5-11(10)17-12(13)7-15/h2-6H,8H2,1H3/b9-6-
InChIKeyCOBOVODZINYVNN-TWGQIWQCSA-N
XLogP3.83
TPSA46.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-3-chloro-2-methylprop-2-enoxy]-1-benzofuran-2-carbonitrile?
The IUPAC name of 3-[(Z)-3-chloro-2-methylprop-2-enoxy]-1-benzofuran-2-carbonitrile (CID 106438468) is 3-[(Z)-3-chloro-2-methylprop-2-enoxy]-1-benzofuran-2-carbonitrile.
What is the SMILES notation for 3-[(Z)-3-chloro-2-methylprop-2-enoxy]-1-benzofuran-2-carbonitrile?
The canonical SMILES for 3-[(Z)-3-chloro-2-methylprop-2-enoxy]-1-benzofuran-2-carbonitrile is C/C(=C/Cl)COc1c(C#N)oc2ccccc12.
What is the InChIKey of 3-[(Z)-3-chloro-2-methylprop-2-enoxy]-1-benzofuran-2-carbonitrile?
The InChIKey is COBOVODZINYVNN-TWGQIWQCSA-N. The full InChI is InChI=1S/C13H10ClNO2/c1-9(6-14)8-16-13-10-4-2-3-5-11(10)17-12(13)7-15/h2-6H,8H2,1H3/b9-6-.
What are the key properties of 3-[(Z)-3-chloro-2-methylprop-2-enoxy]-1-benzofuran-2-carbonitrile?
3-[(Z)-3-chloro-2-methylprop-2-enoxy]-1-benzofuran-2-carbonitrile has a molecular weight of 247.68 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-3-chloro-2-methylprop-2-enoxy]-1-benzofuran-2-carbonitrile is sourced from PubChem (CID 106438468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).