4-(diethylamino)oxolan-2-one

C8H15NO2 — CID 15575830

IUPAC4-(diethylamino)oxolan-2-one
SMILESCCN(CC)C1COC(=O)C1
InChIInChI=1S/C8H15NO2/c1-3-9(4-2)7-5-8(10)11-6-7/h7H,3-6H2,1-2H3
InChIKeyIVJJDSFUZZFZHU-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.64
Rot. Bonds3

About 4-(diethylamino)oxolan-2-one

4-(diethylamino)oxolan-2-one (PubChem CID 15575830) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4-(diethylamino)oxolan-2-one.

Molecular Properties

Compound Name4-(diethylamino)oxolan-2-one
PubChem CID15575830
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4-(diethylamino)oxolan-2-one
SMILESCCN(CC)C1COC(=O)C1
InChIInChI=1S/C8H15NO2/c1-3-9(4-2)7-5-8(10)11-6-7/h7H,3-6H2,1-2H3
InChIKeyIVJJDSFUZZFZHU-UHFFFAOYSA-N
XLogP0.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)oxolan-2-one?
The IUPAC name of 4-(diethylamino)oxolan-2-one (CID 15575830) is 4-(diethylamino)oxolan-2-one.
What is the SMILES notation for 4-(diethylamino)oxolan-2-one?
The canonical SMILES for 4-(diethylamino)oxolan-2-one is CCN(CC)C1COC(=O)C1.
What is the InChIKey of 4-(diethylamino)oxolan-2-one?
The InChIKey is IVJJDSFUZZFZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-9(4-2)7-5-8(10)11-6-7/h7H,3-6H2,1-2H3.
What are the key properties of 4-(diethylamino)oxolan-2-one?
4-(diethylamino)oxolan-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)oxolan-2-one is sourced from PubChem (CID 15575830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).