3-(3,4-dihydro-2H-pyran-2-ylmethylamino)oxolan-2-one

C10H15NO3 — CID 130645838

IUPAC3-(3,4-dihydro-2H-pyran-2-ylmethylamino)oxolan-2-one
SMILESO=C1OCCC1NCC1CCC=CO1
InChIInChI=1S/C10H15NO3/c12-10-9(4-6-14-10)11-7-8-3-1-2-5-13-8/h2,5,8-9,11H,1,3-4,6-7H2
InChIKeyGGTFHQWJQVIJFR-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.58
Rot. Bonds3

About 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)oxolan-2-one

3-(3,4-dihydro-2H-pyran-2-ylmethylamino)oxolan-2-one (PubChem CID 130645838) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)oxolan-2-one.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyran-2-ylmethylamino)oxolan-2-one
PubChem CID130645838
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-(3,4-dihydro-2H-pyran-2-ylmethylamino)oxolan-2-one
SMILESO=C1OCCC1NCC1CCC=CO1
InChIInChI=1S/C10H15NO3/c12-10-9(4-6-14-10)11-7-8-3-1-2-5-13-8/h2,5,8-9,11H,1,3-4,6-7H2
InChIKeyGGTFHQWJQVIJFR-UHFFFAOYSA-N
XLogP0.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)oxolan-2-one?
The IUPAC name of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)oxolan-2-one (CID 130645838) is 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)oxolan-2-one.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)oxolan-2-one?
The canonical SMILES for 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)oxolan-2-one is O=C1OCCC1NCC1CCC=CO1.
What is the InChIKey of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)oxolan-2-one?
The InChIKey is GGTFHQWJQVIJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c12-10-9(4-6-14-10)11-7-8-3-1-2-5-13-8/h2,5,8-9,11H,1,3-4,6-7H2.
What are the key properties of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)oxolan-2-one?
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)oxolan-2-one has a molecular weight of 197.23 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)oxolan-2-one is sourced from PubChem (CID 130645838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).