3-methyl-1-(4-methylmorpholin-3-yl)butan-2-one

C10H19NO2 — CID 170610135

IUPAC3-methyl-1-(4-methylmorpholin-3-yl)butan-2-one
SMILESCC(C)C(=O)CC1COCCN1C
InChIInChI=1S/C10H19NO2/c1-8(2)10(12)6-9-7-13-5-4-11(9)3/h8-9H,4-7H2,1-3H3
InChIKeyUDXODSGGZQSHAT-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.93
Rot. Bonds3

About 3-methyl-1-(4-methylmorpholin-3-yl)butan-2-one

3-methyl-1-(4-methylmorpholin-3-yl)butan-2-one (PubChem CID 170610135) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-methyl-1-(4-methylmorpholin-3-yl)butan-2-one.

Molecular Properties

Compound Name3-methyl-1-(4-methylmorpholin-3-yl)butan-2-one
PubChem CID170610135
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-methyl-1-(4-methylmorpholin-3-yl)butan-2-one
SMILESCC(C)C(=O)CC1COCCN1C
InChIInChI=1S/C10H19NO2/c1-8(2)10(12)6-9-7-13-5-4-11(9)3/h8-9H,4-7H2,1-3H3
InChIKeyUDXODSGGZQSHAT-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylmorpholin-3-yl)butan-2-one?
The IUPAC name of 3-methyl-1-(4-methylmorpholin-3-yl)butan-2-one (CID 170610135) is 3-methyl-1-(4-methylmorpholin-3-yl)butan-2-one.
What is the SMILES notation for 3-methyl-1-(4-methylmorpholin-3-yl)butan-2-one?
The canonical SMILES for 3-methyl-1-(4-methylmorpholin-3-yl)butan-2-one is CC(C)C(=O)CC1COCCN1C.
What is the InChIKey of 3-methyl-1-(4-methylmorpholin-3-yl)butan-2-one?
The InChIKey is UDXODSGGZQSHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(2)10(12)6-9-7-13-5-4-11(9)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 3-methyl-1-(4-methylmorpholin-3-yl)butan-2-one?
3-methyl-1-(4-methylmorpholin-3-yl)butan-2-one has a molecular weight of 185.27 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylmorpholin-3-yl)butan-2-one is sourced from PubChem (CID 170610135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).