3-(oxan-4-ylmethylamino)oxolan-2-one

C10H17NO3 — CID 130685081

IUPAC3-(oxan-4-ylmethylamino)oxolan-2-one
SMILESO=C1OCCC1NCC1CCOCC1
InChIInChI=1S/C10H17NO3/c12-10-9(3-6-14-10)11-7-8-1-4-13-5-2-8/h8-9,11H,1-7H2
InChIKeyURXWXMUQRDQMEG-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.32
Rot. Bonds3

About 3-(oxan-4-ylmethylamino)oxolan-2-one

3-(oxan-4-ylmethylamino)oxolan-2-one (PubChem CID 130685081) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-(oxan-4-ylmethylamino)oxolan-2-one.

Molecular Properties

Compound Name3-(oxan-4-ylmethylamino)oxolan-2-one
PubChem CID130685081
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-(oxan-4-ylmethylamino)oxolan-2-one
SMILESO=C1OCCC1NCC1CCOCC1
InChIInChI=1S/C10H17NO3/c12-10-9(3-6-14-10)11-7-8-1-4-13-5-2-8/h8-9,11H,1-7H2
InChIKeyURXWXMUQRDQMEG-UHFFFAOYSA-N
XLogP0.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-ylmethylamino)oxolan-2-one?
The IUPAC name of 3-(oxan-4-ylmethylamino)oxolan-2-one (CID 130685081) is 3-(oxan-4-ylmethylamino)oxolan-2-one.
What is the SMILES notation for 3-(oxan-4-ylmethylamino)oxolan-2-one?
The canonical SMILES for 3-(oxan-4-ylmethylamino)oxolan-2-one is O=C1OCCC1NCC1CCOCC1.
What is the InChIKey of 3-(oxan-4-ylmethylamino)oxolan-2-one?
The InChIKey is URXWXMUQRDQMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c12-10-9(3-6-14-10)11-7-8-1-4-13-5-2-8/h8-9,11H,1-7H2.
What are the key properties of 3-(oxan-4-ylmethylamino)oxolan-2-one?
3-(oxan-4-ylmethylamino)oxolan-2-one has a molecular weight of 199.25 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-ylmethylamino)oxolan-2-one is sourced from PubChem (CID 130685081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).