2-(5-methylfuran-2-yl)propanenitrile

C8H9NO — CID 43316778

IUPAC2-(5-methylfuran-2-yl)propanenitrile
SMILESCc1ccc(C(C)C#N)o1
InChIInChI=1S/C8H9NO/c1-6(5-9)8-4-3-7(2)10-8/h3-4,6H,1-2H3
InChIKeyPBBKZTVYEUAFJX-UHFFFAOYSA-N
MW135.17 g/mol
LogP2.22
Rot. Bonds1

About 2-(5-methylfuran-2-yl)propanenitrile

2-(5-methylfuran-2-yl)propanenitrile (PubChem CID 43316778) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)propanenitrile.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)propanenitrile
PubChem CID43316778
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name2-(5-methylfuran-2-yl)propanenitrile
SMILESCc1ccc(C(C)C#N)o1
InChIInChI=1S/C8H9NO/c1-6(5-9)8-4-3-7(2)10-8/h3-4,6H,1-2H3
InChIKeyPBBKZTVYEUAFJX-UHFFFAOYSA-N
XLogP2.22
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-5-[(2S)-3-methylbutan-2-yl]furan
CID 59302907
3-amino-3-(5-methylfuran-2-yl)propanenitrile
CID 55292038
2-(5-methylfuran-2-yl)heptanenitrile
CID 162405114
2-(3,3-dimethylbutan-2-yl)-5-methylfuran
CID 77433390
2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)acetonitrile
CID 51064468
4-amino-4-(5-methylfuran-2-yl)butanenitrile
CID 116940083
4-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]benzonitrile
CID 43684987
O-[1-(5-methylfuran-2-yl)ethyl]hydroxylamine
CID 117104825
2-methyl-1-(5-methylfuran-2-yl)propan-1-amine;hydrochloride
CID 86263157
2-[[4-[bis(5-methylfuran-2-yl)methyl]phenyl]-(5-methylfuran-2-yl)methyl]-5-methylfuran
CID 2751428
2-(5-methylfuran-2-yl)-2-pyrazin-2-ylacetonitrile
CID 116833398
3-methyl-2-[[methyl-(5-methylfuran-2-yl)amino]methyl]butanenitrile
CID 115254413

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)propanenitrile?
The IUPAC name of 2-(5-methylfuran-2-yl)propanenitrile (CID 43316778) is 2-(5-methylfuran-2-yl)propanenitrile.
What is the SMILES notation for 2-(5-methylfuran-2-yl)propanenitrile?
The canonical SMILES for 2-(5-methylfuran-2-yl)propanenitrile is Cc1ccc(C(C)C#N)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)propanenitrile?
The InChIKey is PBBKZTVYEUAFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-6(5-9)8-4-3-7(2)10-8/h3-4,6H,1-2H3.
What are the key properties of 2-(5-methylfuran-2-yl)propanenitrile?
2-(5-methylfuran-2-yl)propanenitrile has a molecular weight of 135.17 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)propanenitrile is sourced from PubChem (CID 43316778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).