2-amino-2-(5-methylfuran-3-yl)acetonitrile

C7H8N2O — CID 131430744

IUPAC2-amino-2-(5-methylfuran-3-yl)acetonitrile
SMILESCc1cc(C(N)C#N)co1
InChIInChI=1S/C7H8N2O/c1-5-2-6(4-10-5)7(9)3-8/h2,4,7H,9H2,1H3
InChIKeyWGRKOGCZTALUFY-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.11
Rot. Bonds1

About 2-amino-2-(5-methylfuran-3-yl)acetonitrile

2-amino-2-(5-methylfuran-3-yl)acetonitrile (PubChem CID 131430744) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 2-amino-2-(5-methylfuran-3-yl)acetonitrile.

Molecular Properties

Compound Name2-amino-2-(5-methylfuran-3-yl)acetonitrile
PubChem CID131430744
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name2-amino-2-(5-methylfuran-3-yl)acetonitrile
SMILESCc1cc(C(N)C#N)co1
InChIInChI=1S/C7H8N2O/c1-5-2-6(4-10-5)7(9)3-8/h2,4,7H,9H2,1H3
InChIKeyWGRKOGCZTALUFY-UHFFFAOYSA-N
XLogP1.11
TPSA62.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-methylfuran-3-yl)acetonitrile?
The IUPAC name of 2-amino-2-(5-methylfuran-3-yl)acetonitrile (CID 131430744) is 2-amino-2-(5-methylfuran-3-yl)acetonitrile.
What is the SMILES notation for 2-amino-2-(5-methylfuran-3-yl)acetonitrile?
The canonical SMILES for 2-amino-2-(5-methylfuran-3-yl)acetonitrile is Cc1cc(C(N)C#N)co1.
What is the InChIKey of 2-amino-2-(5-methylfuran-3-yl)acetonitrile?
The InChIKey is WGRKOGCZTALUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-5-2-6(4-10-5)7(9)3-8/h2,4,7H,9H2,1H3.
What are the key properties of 2-amino-2-(5-methylfuran-3-yl)acetonitrile?
2-amino-2-(5-methylfuran-3-yl)acetonitrile has a molecular weight of 136.15 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-methylfuran-3-yl)acetonitrile is sourced from PubChem (CID 131430744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).