4-(2-hydroxyphenyl)-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one

C15H20N2O3 — CID 115067949

IUPAC4-(2-hydroxyphenyl)-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one
SMILESCC1(C2CCNC2)CN(c2ccccc2O)C(=O)CO1
InChIInChI=1S/C15H20N2O3/c1-15(11-6-7-16-8-11)10-17(14(19)9-20-15)12-4-2-3-5-13(12)18/h2-5,11,16,18H,6-10H2,1H3
InChIKeySCOUTOIRNGSJKF-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.12
Rot. Bonds2

About 4-(2-hydroxyphenyl)-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one

4-(2-hydroxyphenyl)-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one (PubChem CID 115067949) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one
PubChem CID115067949
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-(2-hydroxyphenyl)-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one
SMILESCC1(C2CCNC2)CN(c2ccccc2O)C(=O)CO1
InChIInChI=1S/C15H20N2O3/c1-15(11-6-7-16-8-11)10-17(14(19)9-20-15)12-4-2-3-5-13(12)18/h2-5,11,16,18H,6-10H2,1H3
InChIKeySCOUTOIRNGSJKF-UHFFFAOYSA-N
XLogP1.12
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-hydroxyphenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 115067456
4-cyclobutyl-6-methyl-6-piperidin-4-ylmorpholin-3-one
CID 115067752
3-(2-hydroxyphenyl)-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115065078
2-[4-(2-methyl-5-oxo-4-phenylmorpholin-2-yl)piperidin-1-yl]acetamide
CID 110109800
3-ethyl-5-methyl-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115065098
(4aR,8aR)-8a-methyl-4-phenyl-5,6,7,8-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one
CID 175660521
4-methyl-3-(2-methylphenyl)-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115064316
4-(2-methylphenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 115067498
3-(2-chlorophenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115064321
4-(2-fluorophenyl)-6-(hydroxymethyl)-6-methylmorpholin-3-one
CID 115067563
4-(2-fluorophenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 115067499
4-(2-methoxyphenyl)-2-methyl-5-oxomorpholine-2-carboxylic acid
CID 115068184

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one?
The IUPAC name of 4-(2-hydroxyphenyl)-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one (CID 115067949) is 4-(2-hydroxyphenyl)-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one.
What is the SMILES notation for 4-(2-hydroxyphenyl)-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one?
The canonical SMILES for 4-(2-hydroxyphenyl)-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one is CC1(C2CCNC2)CN(c2ccccc2O)C(=O)CO1.
What is the InChIKey of 4-(2-hydroxyphenyl)-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one?
The InChIKey is SCOUTOIRNGSJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(11-6-7-16-8-11)10-17(14(19)9-20-15)12-4-2-3-5-13(12)18/h2-5,11,16,18H,6-10H2,1H3.
What are the key properties of 4-(2-hydroxyphenyl)-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one?
4-(2-hydroxyphenyl)-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one has a molecular weight of 276.34 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one is sourced from PubChem (CID 115067949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).