4-(3-methylmorpholin-4-yl)oxolan-2-one

C9H15NO3 — CID 131085919

IUPAC4-(3-methylmorpholin-4-yl)oxolan-2-one
SMILESCC1COCCN1C1COC(=O)C1
InChIInChI=1S/C9H15NO3/c1-7-5-12-3-2-10(7)8-4-9(11)13-6-8/h7-8H,2-6H2,1H3
InChIKeySSOUJMUSJDBFDM-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.02
Rot. Bonds1

About 4-(3-methylmorpholin-4-yl)oxolan-2-one

4-(3-methylmorpholin-4-yl)oxolan-2-one (PubChem CID 131085919) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 4-(3-methylmorpholin-4-yl)oxolan-2-one.

Molecular Properties

Compound Name4-(3-methylmorpholin-4-yl)oxolan-2-one
PubChem CID131085919
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name4-(3-methylmorpholin-4-yl)oxolan-2-one
SMILESCC1COCCN1C1COC(=O)C1
InChIInChI=1S/C9H15NO3/c1-7-5-12-3-2-10(7)8-4-9(11)13-6-8/h7-8H,2-6H2,1H3
InChIKeySSOUJMUSJDBFDM-UHFFFAOYSA-N
XLogP0.02
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclobutyl-3-methylmorpholine
CID 131084475
4-(3-bicyclo[3.1.0]hexanyl)-3-methylmorpholine
CID 144865906
(3R)-4-(1-tert-butylpiperidin-4-yl)-3-methylmorpholine
CID 118531607
4-(4-methylmorpholin-3-yl)oxolan-2-one
CID 11608048
4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-2-one
CID 163200050
(3R)-3-methyl-4-piperidin-3-ylmorpholine
CID 130978960
6-(2-chlorophenyl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one
CID 162533421
4-[(3R)-3-methylmorpholin-4-yl]-6-[(3R)-3-phenylmorpholin-4-yl]piperidin-2-one
CID 163200041
(4R)-4-methyloxolan-2-one
CID 5325910
(4S)-4-methyloxolan-2-one
CID 11115993
2-(3-methylmorpholin-4-yl)cyclooctan-1-amine
CID 43542065
4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(trifluoromethyl)phenyl]piperidin-2-one
CID 162533422

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylmorpholin-4-yl)oxolan-2-one?
The IUPAC name of 4-(3-methylmorpholin-4-yl)oxolan-2-one (CID 131085919) is 4-(3-methylmorpholin-4-yl)oxolan-2-one.
What is the SMILES notation for 4-(3-methylmorpholin-4-yl)oxolan-2-one?
The canonical SMILES for 4-(3-methylmorpholin-4-yl)oxolan-2-one is CC1COCCN1C1COC(=O)C1.
What is the InChIKey of 4-(3-methylmorpholin-4-yl)oxolan-2-one?
The InChIKey is SSOUJMUSJDBFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-7-5-12-3-2-10(7)8-4-9(11)13-6-8/h7-8H,2-6H2,1H3.
What are the key properties of 4-(3-methylmorpholin-4-yl)oxolan-2-one?
4-(3-methylmorpholin-4-yl)oxolan-2-one has a molecular weight of 185.22 g/mol, XLogP of 0.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylmorpholin-4-yl)oxolan-2-one is sourced from PubChem (CID 131085919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).