2-amino-3-(oxolan-3-yloxy)propanenitrile

C7H12N2O2 — CID 63556703

IUPAC2-amino-3-(oxolan-3-yloxy)propanenitrile
SMILESN#CC(N)COC1CCOC1
InChIInChI=1S/C7H12N2O2/c8-3-6(9)4-11-7-1-2-10-5-7/h6-7H,1-2,4-5,9H2
InChIKeyBDNBCGYRARITGQ-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.36
Rot. Bonds3

About 2-amino-3-(oxolan-3-yloxy)propanenitrile

2-amino-3-(oxolan-3-yloxy)propanenitrile (PubChem CID 63556703) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-amino-3-(oxolan-3-yloxy)propanenitrile.

Molecular Properties

Compound Name2-amino-3-(oxolan-3-yloxy)propanenitrile
PubChem CID63556703
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name2-amino-3-(oxolan-3-yloxy)propanenitrile
SMILESN#CC(N)COC1CCOC1
InChIInChI=1S/C7H12N2O2/c8-3-6(9)4-11-7-1-2-10-5-7/h6-7H,1-2,4-5,9H2
InChIKeyBDNBCGYRARITGQ-UHFFFAOYSA-N
XLogP-0.36
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(oxolan-3-yloxy)propanenitrile?
The IUPAC name of 2-amino-3-(oxolan-3-yloxy)propanenitrile (CID 63556703) is 2-amino-3-(oxolan-3-yloxy)propanenitrile.
What is the SMILES notation for 2-amino-3-(oxolan-3-yloxy)propanenitrile?
The canonical SMILES for 2-amino-3-(oxolan-3-yloxy)propanenitrile is N#CC(N)COC1CCOC1.
What is the InChIKey of 2-amino-3-(oxolan-3-yloxy)propanenitrile?
The InChIKey is BDNBCGYRARITGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c8-3-6(9)4-11-7-1-2-10-5-7/h6-7H,1-2,4-5,9H2.
What are the key properties of 2-amino-3-(oxolan-3-yloxy)propanenitrile?
2-amino-3-(oxolan-3-yloxy)propanenitrile has a molecular weight of 156.19 g/mol, XLogP of -0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(oxolan-3-yloxy)propanenitrile is sourced from PubChem (CID 63556703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).