(3S)-3-(dimethylamino)oxolan-2-one

C6H11NO2 — CID 164671690

IUPAC(3S)-3-(dimethylamino)oxolan-2-one
SMILESCN(C)[C@H]1CCOC1=O
InChIInChI=1S/C6H11NO2/c1-7(2)5-3-4-9-6(5)8/h5H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyGUWCRVVWAMIDFQ-YFKPBYRVSA-N
MW129.16 g/mol
LogP-0.14
Rot. Bonds1

About (3S)-3-(dimethylamino)oxolan-2-one

(3S)-3-(dimethylamino)oxolan-2-one (PubChem CID 164671690) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (3S)-3-(dimethylamino)oxolan-2-one.

Molecular Properties

Compound Name(3S)-3-(dimethylamino)oxolan-2-one
PubChem CID164671690
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(3S)-3-(dimethylamino)oxolan-2-one
SMILESCN(C)[C@H]1CCOC1=O
InChIInChI=1S/C6H11NO2/c1-7(2)5-3-4-9-6(5)8/h5H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyGUWCRVVWAMIDFQ-YFKPBYRVSA-N
XLogP-0.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(dimethylamino)oxolan-2-one?
The IUPAC name of (3S)-3-(dimethylamino)oxolan-2-one (CID 164671690) is (3S)-3-(dimethylamino)oxolan-2-one.
What is the SMILES notation for (3S)-3-(dimethylamino)oxolan-2-one?
The canonical SMILES for (3S)-3-(dimethylamino)oxolan-2-one is CN(C)[C@H]1CCOC1=O.
What is the InChIKey of (3S)-3-(dimethylamino)oxolan-2-one?
The InChIKey is GUWCRVVWAMIDFQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11NO2/c1-7(2)5-3-4-9-6(5)8/h5H,3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of (3S)-3-(dimethylamino)oxolan-2-one?
(3S)-3-(dimethylamino)oxolan-2-one has a molecular weight of 129.16 g/mol, XLogP of -0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(dimethylamino)oxolan-2-one is sourced from PubChem (CID 164671690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).