3-(dimethylamino)oxolane-3-carbonitrile

C7H12N2O — CID 10630582

IUPAC3-(dimethylamino)oxolane-3-carbonitrile
SMILESCN(C)C1(C#N)CCOC1
InChIInChI=1S/C7H12N2O/c1-9(2)7(5-8)3-4-10-6-7/h3-4,6H2,1-2H3
InChIKeyFTSNUROASHTNGX-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.23
Rot. Bonds1

About 3-(dimethylamino)oxolane-3-carbonitrile

3-(dimethylamino)oxolane-3-carbonitrile (PubChem CID 10630582) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-(dimethylamino)oxolane-3-carbonitrile.

Molecular Properties

Compound Name3-(dimethylamino)oxolane-3-carbonitrile
PubChem CID10630582
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3-(dimethylamino)oxolane-3-carbonitrile
SMILESCN(C)C1(C#N)CCOC1
InChIInChI=1S/C7H12N2O/c1-9(2)7(5-8)3-4-10-6-7/h3-4,6H2,1-2H3
InChIKeyFTSNUROASHTNGX-UHFFFAOYSA-N
XLogP0.23
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)oxolane-3-carbonitrile?
The IUPAC name of 3-(dimethylamino)oxolane-3-carbonitrile (CID 10630582) is 3-(dimethylamino)oxolane-3-carbonitrile.
What is the SMILES notation for 3-(dimethylamino)oxolane-3-carbonitrile?
The canonical SMILES for 3-(dimethylamino)oxolane-3-carbonitrile is CN(C)C1(C#N)CCOC1.
What is the InChIKey of 3-(dimethylamino)oxolane-3-carbonitrile?
The InChIKey is FTSNUROASHTNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-9(2)7(5-8)3-4-10-6-7/h3-4,6H2,1-2H3.
What are the key properties of 3-(dimethylamino)oxolane-3-carbonitrile?
3-(dimethylamino)oxolane-3-carbonitrile has a molecular weight of 140.19 g/mol, XLogP of 0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)oxolane-3-carbonitrile is sourced from PubChem (CID 10630582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).