3-(furan-2-ylmethylamino)propanenitrile

C8H10N2O — CID 2063331

IUPAC3-(furan-2-ylmethylamino)propanenitrile
SMILESN#CCCNCc1ccco1
InChIInChI=1S/C8H10N2O/c9-4-2-5-10-7-8-3-1-6-11-8/h1,3,6,10H,2,5,7H2
InChIKeyHGGLROFYOVWSRZ-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.28
Rot. Bonds4

About 3-(furan-2-ylmethylamino)propanenitrile

3-(furan-2-ylmethylamino)propanenitrile (PubChem CID 2063331) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-(furan-2-ylmethylamino)propanenitrile.

Molecular Properties

Compound Name3-(furan-2-ylmethylamino)propanenitrile
PubChem CID2063331
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name3-(furan-2-ylmethylamino)propanenitrile
SMILESN#CCCNCc1ccco1
InChIInChI=1S/C8H10N2O/c9-4-2-5-10-7-8-3-1-6-11-8/h1,3,6,10H,2,5,7H2
InChIKeyHGGLROFYOVWSRZ-UHFFFAOYSA-N
XLogP1.28
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethylamino)propanenitrile?
The IUPAC name of 3-(furan-2-ylmethylamino)propanenitrile (CID 2063331) is 3-(furan-2-ylmethylamino)propanenitrile.
What is the SMILES notation for 3-(furan-2-ylmethylamino)propanenitrile?
The canonical SMILES for 3-(furan-2-ylmethylamino)propanenitrile is N#CCCNCc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethylamino)propanenitrile?
The InChIKey is HGGLROFYOVWSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c9-4-2-5-10-7-8-3-1-6-11-8/h1,3,6,10H,2,5,7H2.
What are the key properties of 3-(furan-2-ylmethylamino)propanenitrile?
3-(furan-2-ylmethylamino)propanenitrile has a molecular weight of 150.18 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethylamino)propanenitrile is sourced from PubChem (CID 2063331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).