3-ethyl-4-[ethyl(methyl)amino]-3-methyloxolan-2-one

C10H19NO2 — CID 20632608

IUPAC3-ethyl-4-[ethyl(methyl)amino]-3-methyloxolan-2-one
SMILESCCN(C)C1COC(=O)C1(C)CC
InChIInChI=1S/C10H19NO2/c1-5-10(3)8(11(4)6-2)7-13-9(10)12/h8H,5-7H2,1-4H3
InChIKeyJYDVMURGOSZCOC-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.28
Rot. Bonds3

About 3-ethyl-4-[ethyl(methyl)amino]-3-methyloxolan-2-one

3-ethyl-4-[ethyl(methyl)amino]-3-methyloxolan-2-one (PubChem CID 20632608) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-ethyl-4-[ethyl(methyl)amino]-3-methyloxolan-2-one.

Molecular Properties

Compound Name3-ethyl-4-[ethyl(methyl)amino]-3-methyloxolan-2-one
PubChem CID20632608
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-ethyl-4-[ethyl(methyl)amino]-3-methyloxolan-2-one
SMILESCCN(C)C1COC(=O)C1(C)CC
InChIInChI=1S/C10H19NO2/c1-5-10(3)8(11(4)6-2)7-13-9(10)12/h8H,5-7H2,1-4H3
InChIKeyJYDVMURGOSZCOC-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[ethyl(methyl)amino]-3-methyloxolan-2-one?
The IUPAC name of 3-ethyl-4-[ethyl(methyl)amino]-3-methyloxolan-2-one (CID 20632608) is 3-ethyl-4-[ethyl(methyl)amino]-3-methyloxolan-2-one.
What is the SMILES notation for 3-ethyl-4-[ethyl(methyl)amino]-3-methyloxolan-2-one?
The canonical SMILES for 3-ethyl-4-[ethyl(methyl)amino]-3-methyloxolan-2-one is CCN(C)C1COC(=O)C1(C)CC.
What is the InChIKey of 3-ethyl-4-[ethyl(methyl)amino]-3-methyloxolan-2-one?
The InChIKey is JYDVMURGOSZCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-10(3)8(11(4)6-2)7-13-9(10)12/h8H,5-7H2,1-4H3.
What are the key properties of 3-ethyl-4-[ethyl(methyl)amino]-3-methyloxolan-2-one?
3-ethyl-4-[ethyl(methyl)amino]-3-methyloxolan-2-one has a molecular weight of 185.27 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[ethyl(methyl)amino]-3-methyloxolan-2-one is sourced from PubChem (CID 20632608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).