4-[(2R)-2-methyl-3H-furan-2-yl]benzonitrile

C12H11NO — CID 132563619

IUPAC4-[(2R)-2-methyl-3H-furan-2-yl]benzonitrile
SMILESC[C@]1(c2ccc(C#N)cc2)CC=CO1
InChIInChI=1S/C12H11NO/c1-12(7-2-8-14-12)11-5-3-10(9-13)4-6-11/h2-6,8H,7H2,1H3/t12-/m1/s1
InChIKeyFTHWVDBTNXFQFE-GFCCVEGCSA-N
MW185.23 g/mol
LogP2.71
Rot. Bonds1

About 4-[(2R)-2-methyl-3H-furan-2-yl]benzonitrile

4-[(2R)-2-methyl-3H-furan-2-yl]benzonitrile (PubChem CID 132563619) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 4-[(2R)-2-methyl-3H-furan-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[(2R)-2-methyl-3H-furan-2-yl]benzonitrile
PubChem CID132563619
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name4-[(2R)-2-methyl-3H-furan-2-yl]benzonitrile
SMILESC[C@]1(c2ccc(C#N)cc2)CC=CO1
InChIInChI=1S/C12H11NO/c1-12(7-2-8-14-12)11-5-3-10(9-13)4-6-11/h2-6,8H,7H2,1H3/t12-/m1/s1
InChIKeyFTHWVDBTNXFQFE-GFCCVEGCSA-N
XLogP2.71
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-methyl-3H-furan-2-yl]benzonitrile?
The IUPAC name of 4-[(2R)-2-methyl-3H-furan-2-yl]benzonitrile (CID 132563619) is 4-[(2R)-2-methyl-3H-furan-2-yl]benzonitrile.
What is the SMILES notation for 4-[(2R)-2-methyl-3H-furan-2-yl]benzonitrile?
The canonical SMILES for 4-[(2R)-2-methyl-3H-furan-2-yl]benzonitrile is C[C@]1(c2ccc(C#N)cc2)CC=CO1.
What is the InChIKey of 4-[(2R)-2-methyl-3H-furan-2-yl]benzonitrile?
The InChIKey is FTHWVDBTNXFQFE-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H11NO/c1-12(7-2-8-14-12)11-5-3-10(9-13)4-6-11/h2-6,8H,7H2,1H3/t12-/m1/s1.
What are the key properties of 4-[(2R)-2-methyl-3H-furan-2-yl]benzonitrile?
4-[(2R)-2-methyl-3H-furan-2-yl]benzonitrile has a molecular weight of 185.23 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-methyl-3H-furan-2-yl]benzonitrile is sourced from PubChem (CID 132563619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).