2-(5-methylfuran-2-yl)cyclopropane-1-carbonitrile

C9H9NO — CID 116837015

IUPAC2-(5-methylfuran-2-yl)cyclopropane-1-carbonitrile
SMILESCc1ccc(C2CC2C#N)o1
InChIInChI=1S/C9H9NO/c1-6-2-3-9(11-6)8-4-7(8)5-10/h2-3,7-8H,4H2,1H3
InChIKeyJVYKUYAZDQIBRN-UHFFFAOYSA-N
MW147.18 g/mol
LogP2.22
Rot. Bonds1

About 2-(5-methylfuran-2-yl)cyclopropane-1-carbonitrile

2-(5-methylfuran-2-yl)cyclopropane-1-carbonitrile (PubChem CID 116837015) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)cyclopropane-1-carbonitrile
PubChem CID116837015
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name2-(5-methylfuran-2-yl)cyclopropane-1-carbonitrile
SMILESCc1ccc(C2CC2C#N)o1
InChIInChI=1S/C9H9NO/c1-6-2-3-9(11-6)8-4-7(8)5-10/h2-3,7-8H,4H2,1H3
InChIKeyJVYKUYAZDQIBRN-UHFFFAOYSA-N
XLogP2.22
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 854401
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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)cyclopropane-1-carbonitrile?
The IUPAC name of 2-(5-methylfuran-2-yl)cyclopropane-1-carbonitrile (CID 116837015) is 2-(5-methylfuran-2-yl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 2-(5-methylfuran-2-yl)cyclopropane-1-carbonitrile?
The canonical SMILES for 2-(5-methylfuran-2-yl)cyclopropane-1-carbonitrile is Cc1ccc(C2CC2C#N)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)cyclopropane-1-carbonitrile?
The InChIKey is JVYKUYAZDQIBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-6-2-3-9(11-6)8-4-7(8)5-10/h2-3,7-8H,4H2,1H3.
What are the key properties of 2-(5-methylfuran-2-yl)cyclopropane-1-carbonitrile?
2-(5-methylfuran-2-yl)cyclopropane-1-carbonitrile has a molecular weight of 147.18 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 116837015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).