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

C6H10N2O — CID 16795727

IUPAC2-amino-2-(oxolan-3-yl)acetonitrile
SMILESN#CC(N)C1CCOC1
InChIInChI=1S/C6H10N2O/c7-3-6(8)5-1-2-9-4-5/h5-6H,1-2,4,8H2
InChIKeyQMPXLKUDDODKEW-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.13
Rot. Bonds1

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

2-amino-2-(oxolan-3-yl)acetonitrile (PubChem CID 16795727) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-amino-2-(oxolan-3-yl)acetonitrile.

Molecular Properties

Compound Name2-amino-2-(oxolan-3-yl)acetonitrile
PubChem CID16795727
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2-amino-2-(oxolan-3-yl)acetonitrile
SMILESN#CC(N)C1CCOC1
InChIInChI=1S/C6H10N2O/c7-3-6(8)5-1-2-9-4-5/h5-6H,1-2,4,8H2
InChIKeyQMPXLKUDDODKEW-UHFFFAOYSA-N
XLogP-0.13
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxolan-3-yl)acetonitrile?
The IUPAC name of 2-amino-2-(oxolan-3-yl)acetonitrile (CID 16795727) is 2-amino-2-(oxolan-3-yl)acetonitrile.
What is the SMILES notation for 2-amino-2-(oxolan-3-yl)acetonitrile?
The canonical SMILES for 2-amino-2-(oxolan-3-yl)acetonitrile is N#CC(N)C1CCOC1.
What is the InChIKey of 2-amino-2-(oxolan-3-yl)acetonitrile?
The InChIKey is QMPXLKUDDODKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c7-3-6(8)5-1-2-9-4-5/h5-6H,1-2,4,8H2.
What are the key properties of 2-amino-2-(oxolan-3-yl)acetonitrile?
2-amino-2-(oxolan-3-yl)acetonitrile has a molecular weight of 126.16 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxolan-3-yl)acetonitrile is sourced from PubChem (CID 16795727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).