2-amino-2-(2-butylfuran-3-yl)acetonitrile

C10H14N2O — CID 139712580

IUPAC2-amino-2-(2-butylfuran-3-yl)acetonitrile
SMILESCCCCc1occc1C(N)C#N
InChIInChI=1S/C10H14N2O/c1-2-3-4-10-8(5-6-13-10)9(12)7-11/h5-6,9H,2-4,12H2,1H3
InChIKeyFWYBMWKEFOWGOS-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.15
Rot. Bonds4

About 2-amino-2-(2-butylfuran-3-yl)acetonitrile

2-amino-2-(2-butylfuran-3-yl)acetonitrile (PubChem CID 139712580) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-amino-2-(2-butylfuran-3-yl)acetonitrile.

Molecular Properties

Compound Name2-amino-2-(2-butylfuran-3-yl)acetonitrile
PubChem CID139712580
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name2-amino-2-(2-butylfuran-3-yl)acetonitrile
SMILESCCCCc1occc1C(N)C#N
InChIInChI=1S/C10H14N2O/c1-2-3-4-10-8(5-6-13-10)9(12)7-11/h5-6,9H,2-4,12H2,1H3
InChIKeyFWYBMWKEFOWGOS-UHFFFAOYSA-N
XLogP2.15
TPSA62.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-butylfuran-3-yl)acetonitrile?
The IUPAC name of 2-amino-2-(2-butylfuran-3-yl)acetonitrile (CID 139712580) is 2-amino-2-(2-butylfuran-3-yl)acetonitrile.
What is the SMILES notation for 2-amino-2-(2-butylfuran-3-yl)acetonitrile?
The canonical SMILES for 2-amino-2-(2-butylfuran-3-yl)acetonitrile is CCCCc1occc1C(N)C#N.
What is the InChIKey of 2-amino-2-(2-butylfuran-3-yl)acetonitrile?
The InChIKey is FWYBMWKEFOWGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-2-3-4-10-8(5-6-13-10)9(12)7-11/h5-6,9H,2-4,12H2,1H3.
What are the key properties of 2-amino-2-(2-butylfuran-3-yl)acetonitrile?
2-amino-2-(2-butylfuran-3-yl)acetonitrile has a molecular weight of 178.23 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-butylfuran-3-yl)acetonitrile is sourced from PubChem (CID 139712580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).