4-(2-hydroxypropyl)-6-methyl-3-(2-methylpropyl)morpholin-2-one

C12H23NO3 — CID 129239403

IUPAC4-(2-hydroxypropyl)-6-methyl-3-(2-methylpropyl)morpholin-2-one
SMILESCC(C)CC1C(=O)OC(C)CN1CC(C)O
InChIInChI=1S/C12H23NO3/c1-8(2)5-11-12(15)16-10(4)7-13(11)6-9(3)14/h8-11,14H,5-7H2,1-4H3
InChIKeyLBUKGFQVKCEQJW-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.03
Rot. Bonds4

About 4-(2-hydroxypropyl)-6-methyl-3-(2-methylpropyl)morpholin-2-one

4-(2-hydroxypropyl)-6-methyl-3-(2-methylpropyl)morpholin-2-one (PubChem CID 129239403) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-(2-hydroxypropyl)-6-methyl-3-(2-methylpropyl)morpholin-2-one.

Molecular Properties

Compound Name4-(2-hydroxypropyl)-6-methyl-3-(2-methylpropyl)morpholin-2-one
PubChem CID129239403
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name4-(2-hydroxypropyl)-6-methyl-3-(2-methylpropyl)morpholin-2-one
SMILESCC(C)CC1C(=O)OC(C)CN1CC(C)O
InChIInChI=1S/C12H23NO3/c1-8(2)5-11-12(15)16-10(4)7-13(11)6-9(3)14/h8-11,14H,5-7H2,1-4H3
InChIKeyLBUKGFQVKCEQJW-UHFFFAOYSA-N
XLogP1.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropyl)-6-methyl-3-(2-methylpropyl)morpholin-2-one?
The IUPAC name of 4-(2-hydroxypropyl)-6-methyl-3-(2-methylpropyl)morpholin-2-one (CID 129239403) is 4-(2-hydroxypropyl)-6-methyl-3-(2-methylpropyl)morpholin-2-one.
What is the SMILES notation for 4-(2-hydroxypropyl)-6-methyl-3-(2-methylpropyl)morpholin-2-one?
The canonical SMILES for 4-(2-hydroxypropyl)-6-methyl-3-(2-methylpropyl)morpholin-2-one is CC(C)CC1C(=O)OC(C)CN1CC(C)O.
What is the InChIKey of 4-(2-hydroxypropyl)-6-methyl-3-(2-methylpropyl)morpholin-2-one?
The InChIKey is LBUKGFQVKCEQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-8(2)5-11-12(15)16-10(4)7-13(11)6-9(3)14/h8-11,14H,5-7H2,1-4H3.
What are the key properties of 4-(2-hydroxypropyl)-6-methyl-3-(2-methylpropyl)morpholin-2-one?
4-(2-hydroxypropyl)-6-methyl-3-(2-methylpropyl)morpholin-2-one has a molecular weight of 229.32 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropyl)-6-methyl-3-(2-methylpropyl)morpholin-2-one is sourced from PubChem (CID 129239403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).