3-(dimethylamino)oxolan-2-one;formaldehyde

C7H13NO3 — CID 90726710

IUPAC3-(dimethylamino)oxolan-2-one;formaldehyde
SMILESC=O.CN(C)C1CCOC1=O
InChIInChI=1S/C6H11NO2.CH2O/c1-7(2)5-3-4-9-6(5)8;1-2/h5H,3-4H2,1-2H3;1H2
InChIKeyHEQKPYLKSGOKPY-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.32
Rot. Bonds1

About 3-(dimethylamino)oxolan-2-one;formaldehyde

3-(dimethylamino)oxolan-2-one;formaldehyde (PubChem CID 90726710) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 3-(dimethylamino)oxolan-2-one;formaldehyde.

Molecular Properties

Compound Name3-(dimethylamino)oxolan-2-one;formaldehyde
PubChem CID90726710
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name3-(dimethylamino)oxolan-2-one;formaldehyde
SMILESC=O.CN(C)C1CCOC1=O
InChIInChI=1S/C6H11NO2.CH2O/c1-7(2)5-3-4-9-6(5)8;1-2/h5H,3-4H2,1-2H3;1H2
InChIKeyHEQKPYLKSGOKPY-UHFFFAOYSA-N
XLogP-0.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)oxolan-2-one;formaldehyde?
The IUPAC name of 3-(dimethylamino)oxolan-2-one;formaldehyde (CID 90726710) is 3-(dimethylamino)oxolan-2-one;formaldehyde.
What is the SMILES notation for 3-(dimethylamino)oxolan-2-one;formaldehyde?
The canonical SMILES for 3-(dimethylamino)oxolan-2-one;formaldehyde is C=O.CN(C)C1CCOC1=O.
What is the InChIKey of 3-(dimethylamino)oxolan-2-one;formaldehyde?
The InChIKey is HEQKPYLKSGOKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.CH2O/c1-7(2)5-3-4-9-6(5)8;1-2/h5H,3-4H2,1-2H3;1H2.
What are the key properties of 3-(dimethylamino)oxolan-2-one;formaldehyde?
3-(dimethylamino)oxolan-2-one;formaldehyde has a molecular weight of 159.18 g/mol, XLogP of -0.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)oxolan-2-one;formaldehyde is sourced from PubChem (CID 90726710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).