3-[methyl-(2-oxooxolan-3-yl)amino]propanenitrile

C8H12N2O2 — CID 43186244

IUPAC3-[methyl-(2-oxooxolan-3-yl)amino]propanenitrile
SMILESCN(CCC#N)C1CCOC1=O
InChIInChI=1S/C8H12N2O2/c1-10(5-2-4-9)7-3-6-12-8(7)11/h7H,2-3,5-6H2,1H3
InChIKeySVNMYNCAOASJSY-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.15
Rot. Bonds3

About 3-[methyl-(2-oxooxolan-3-yl)amino]propanenitrile

3-[methyl-(2-oxooxolan-3-yl)amino]propanenitrile (PubChem CID 43186244) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-[methyl-(2-oxooxolan-3-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[methyl-(2-oxooxolan-3-yl)amino]propanenitrile
PubChem CID43186244
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-[methyl-(2-oxooxolan-3-yl)amino]propanenitrile
SMILESCN(CCC#N)C1CCOC1=O
InChIInChI=1S/C8H12N2O2/c1-10(5-2-4-9)7-3-6-12-8(7)11/h7H,2-3,5-6H2,1H3
InChIKeySVNMYNCAOASJSY-UHFFFAOYSA-N
XLogP0.15
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

L-Homoserine lactone, N,N-dimethyl-
CID 22088506
(3S)-3-(dimethylamino)oxolan-2-one
CID 164671690
3-Morpholin-4-yloxolan-2-one
CID 19029984
4-(Diethylamino)oxolan-2-one
CID 15575830
3-[2-Hydroxyethyl(methyl)amino]oxolan-2-one
CID 62020992
Ethyl 2-[(2-oxooxolan-3-yl)-propan-2-ylamino]acetate
CID 62026811
2-Cyanoethyl 2-pyrrolidin-1-ylpropanoate
CID 66592806
Cyanomethyl 2-pyrrolidin-1-ylpropanoate
CID 66592973
3-(Dimethylamino)oxolan-2-one;formaldehyde
CID 90726710
3-(Diethylamino)oxolan-2-one
CID 131002806
3-(Dipropylamino)oxolan-2-one
CID 144449861
3-[Methyl(propan-2-yl)amino]oxolan-2-one
CID 178508692

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(2-oxooxolan-3-yl)amino]propanenitrile?
The IUPAC name of 3-[methyl-(2-oxooxolan-3-yl)amino]propanenitrile (CID 43186244) is 3-[methyl-(2-oxooxolan-3-yl)amino]propanenitrile.
What is the SMILES notation for 3-[methyl-(2-oxooxolan-3-yl)amino]propanenitrile?
The canonical SMILES for 3-[methyl-(2-oxooxolan-3-yl)amino]propanenitrile is CN(CCC#N)C1CCOC1=O.
What is the InChIKey of 3-[methyl-(2-oxooxolan-3-yl)amino]propanenitrile?
The InChIKey is SVNMYNCAOASJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-10(5-2-4-9)7-3-6-12-8(7)11/h7H,2-3,5-6H2,1H3.
What are the key properties of 3-[methyl-(2-oxooxolan-3-yl)amino]propanenitrile?
3-[methyl-(2-oxooxolan-3-yl)amino]propanenitrile has a molecular weight of 168.20 g/mol, XLogP of 0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(2-oxooxolan-3-yl)amino]propanenitrile is sourced from PubChem (CID 43186244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).