2-(5-methylfuran-2-yl)acetonitrile

C7H7NO — CID 11126236

IUPAC2-(5-methylfuran-2-yl)acetonitrile
SMILESCc1ccc(CC#N)o1
InChIInChI=1S/C7H7NO/c1-6-2-3-7(9-6)4-5-8/h2-3H,4H2,1H3
InChIKeyJHIJLFWTUJRTHP-UHFFFAOYSA-N
MW121.14 g/mol
LogP1.65
Rot. Bonds1

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

2-(5-methylfuran-2-yl)acetonitrile (PubChem CID 11126236) has the molecular formula C7H7NO and a molecular weight of 121.14 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)acetonitrile
PubChem CID11126236
Molecular FormulaC7H7NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC Name2-(5-methylfuran-2-yl)acetonitrile
SMILESCc1ccc(CC#N)o1
InChIInChI=1S/C7H7NO/c1-6-2-3-7(9-6)4-5-8/h2-3H,4H2,1H3
InChIKeyJHIJLFWTUJRTHP-UHFFFAOYSA-N
XLogP1.65
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chlorofuran-2-yl)acetonitrile
CID 84762684
2-[5-(2-methyl-1,3-dioxol-2-yl)furan-2-yl]acetonitrile
CID 141305773
4-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 79184917
azane;(5-methylfuran-2-yl)methanol
CID 175565780
2-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanenitrile
CID 115129501
2-(2,2-dimethylpropyl)-5-methylfuran
CID 23568486
3-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 115173902
2-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]propanenitrile
CID 115130586
ethane;2-(5-methylfuran-2-yl)ethanol
CID 142104864
cyclopropane;ethane;2-ethyl-5-methylfuran
CID 142234007
2-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide
CID 115116232
3-amino-3-(5-methylfuran-2-yl)propanenitrile
CID 55292038

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)acetonitrile?
The IUPAC name of 2-(5-methylfuran-2-yl)acetonitrile (CID 11126236) is 2-(5-methylfuran-2-yl)acetonitrile.
What is the SMILES notation for 2-(5-methylfuran-2-yl)acetonitrile?
The canonical SMILES for 2-(5-methylfuran-2-yl)acetonitrile is Cc1ccc(CC#N)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)acetonitrile?
The InChIKey is JHIJLFWTUJRTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO/c1-6-2-3-7(9-6)4-5-8/h2-3H,4H2,1H3.
What are the key properties of 2-(5-methylfuran-2-yl)acetonitrile?
2-(5-methylfuran-2-yl)acetonitrile has a molecular weight of 121.14 g/mol, XLogP of 1.65, 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)acetonitrile is sourced from PubChem (CID 11126236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).