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

C7H12N2O — CID 43115004

IUPAC2-(methylamino)-2-(oxolan-3-yl)acetonitrile
SMILESCNC(C#N)C1CCOC1
InChIInChI=1S/C7H12N2O/c1-9-7(4-8)6-2-3-10-5-6/h6-7,9H,2-3,5H2,1H3
InChIKeyLEFWCAFTDXWGPS-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.13
Rot. Bonds2

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

2-(methylamino)-2-(oxolan-3-yl)acetonitrile (PubChem CID 43115004) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-(methylamino)-2-(oxolan-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(methylamino)-2-(oxolan-3-yl)acetonitrile
PubChem CID43115004
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-(methylamino)-2-(oxolan-3-yl)acetonitrile
SMILESCNC(C#N)C1CCOC1
InChIInChI=1S/C7H12N2O/c1-9-7(4-8)6-2-3-10-5-6/h6-7,9H,2-3,5H2,1H3
InChIKeyLEFWCAFTDXWGPS-UHFFFAOYSA-N
XLogP0.13
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-(oxolan-3-yl)acetonitrile?
The IUPAC name of 2-(methylamino)-2-(oxolan-3-yl)acetonitrile (CID 43115004) is 2-(methylamino)-2-(oxolan-3-yl)acetonitrile.
What is the SMILES notation for 2-(methylamino)-2-(oxolan-3-yl)acetonitrile?
The canonical SMILES for 2-(methylamino)-2-(oxolan-3-yl)acetonitrile is CNC(C#N)C1CCOC1.
What is the InChIKey of 2-(methylamino)-2-(oxolan-3-yl)acetonitrile?
The InChIKey is LEFWCAFTDXWGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-9-7(4-8)6-2-3-10-5-6/h6-7,9H,2-3,5H2,1H3.
What are the key properties of 2-(methylamino)-2-(oxolan-3-yl)acetonitrile?
2-(methylamino)-2-(oxolan-3-yl)acetonitrile has a molecular weight of 140.19 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-(oxolan-3-yl)acetonitrile is sourced from PubChem (CID 43115004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).