3-[2-cyanoethyl(furan-3-ylmethyl)amino]propanenitrile

C11H13N3O — CID 3800301

IUPAC3-[2-cyanoethyl(furan-3-ylmethyl)amino]propanenitrile
SMILESN#CCCN(CCC#N)Cc1ccoc1
InChIInChI=1S/C11H13N3O/c12-4-1-6-14(7-2-5-13)9-11-3-8-15-10-11/h3,8,10H,1-2,6-7,9H2
InChIKeyLWMYCAGKRVDELP-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.91
Rot. Bonds6

About 3-[2-cyanoethyl(furan-3-ylmethyl)amino]propanenitrile

3-[2-cyanoethyl(furan-3-ylmethyl)amino]propanenitrile (PubChem CID 3800301) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-[2-cyanoethyl(furan-3-ylmethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-cyanoethyl(furan-3-ylmethyl)amino]propanenitrile
PubChem CID3800301
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name3-[2-cyanoethyl(furan-3-ylmethyl)amino]propanenitrile
SMILESN#CCCN(CCC#N)Cc1ccoc1
InChIInChI=1S/C11H13N3O/c12-4-1-6-14(7-2-5-13)9-11-3-8-15-10-11/h3,8,10H,1-2,6-7,9H2
InChIKeyLWMYCAGKRVDELP-UHFFFAOYSA-N
XLogP1.91
TPSA63.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-cyanoethyl(furan-3-ylmethyl)amino]propanenitrile?
The IUPAC name of 3-[2-cyanoethyl(furan-3-ylmethyl)amino]propanenitrile (CID 3800301) is 3-[2-cyanoethyl(furan-3-ylmethyl)amino]propanenitrile.
What is the SMILES notation for 3-[2-cyanoethyl(furan-3-ylmethyl)amino]propanenitrile?
The canonical SMILES for 3-[2-cyanoethyl(furan-3-ylmethyl)amino]propanenitrile is N#CCCN(CCC#N)Cc1ccoc1.
What is the InChIKey of 3-[2-cyanoethyl(furan-3-ylmethyl)amino]propanenitrile?
The InChIKey is LWMYCAGKRVDELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-4-1-6-14(7-2-5-13)9-11-3-8-15-10-11/h3,8,10H,1-2,6-7,9H2.
What are the key properties of 3-[2-cyanoethyl(furan-3-ylmethyl)amino]propanenitrile?
3-[2-cyanoethyl(furan-3-ylmethyl)amino]propanenitrile has a molecular weight of 203.25 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyanoethyl(furan-3-ylmethyl)amino]propanenitrile is sourced from PubChem (CID 3800301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).