(3R)-3-hydroxy-3-methyl-1-morpholin-4-ylheptan-1-one

C12H23NO3 — CID 164675708

IUPAC(3R)-3-hydroxy-3-methyl-1-morpholin-4-ylheptan-1-one
SMILESCCCC[C@@](C)(O)CC(=O)N1CCOCC1
InChIInChI=1S/C12H23NO3/c1-3-4-5-12(2,15)10-11(14)13-6-8-16-9-7-13/h15H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyYCAGLUSGOBXKDQ-GFCCVEGCSA-N
MW229.32 g/mol
LogP1.18
Rot. Bonds5

About (3R)-3-hydroxy-3-methyl-1-morpholin-4-ylheptan-1-one

(3R)-3-hydroxy-3-methyl-1-morpholin-4-ylheptan-1-one (PubChem CID 164675708) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-methyl-1-morpholin-4-ylheptan-1-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-methyl-1-morpholin-4-ylheptan-1-one
PubChem CID164675708
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name(3R)-3-hydroxy-3-methyl-1-morpholin-4-ylheptan-1-one
SMILESCCCC[C@@](C)(O)CC(=O)N1CCOCC1
InChIInChI=1S/C12H23NO3/c1-3-4-5-12(2,15)10-11(14)13-6-8-16-9-7-13/h15H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyYCAGLUSGOBXKDQ-GFCCVEGCSA-N
XLogP1.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Hydroxy-1-morpholin-4-ylheptan-1-one
CID 85825762
(2R,3S)-3-cyclohexyl-3-hydroxy-2-methyl-1-morpholin-4-ylpropan-1-one
CID 134965746
(2R,3S)-3-hydroxy-2,3,5-trimethyl-1-morpholin-4-ylhexan-1-one
CID 139039179
N-(2,2-difluoroethyl)-2-(1-hydroxycyclohexyl)-N-(2-methoxyethyl)acetamide
CID 111464506
2,2-Difluoro-2-(1-hydroxycyclopentyl)-1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 128978540
2,2-difluoro-2-(1-hydroxycyclopentyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 129534459
2,2-difluoro-2-(1-hydroxycyclopentyl)-1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 129534460
(1-Hydroxycyclohexyl)-morpholin-4-ylmethanone
CID 121220668
2-Hydroxy-2-methyl-1-morpholin-4-yloctan-1-one
CID 141129965
3-Hydroxy-2-methoxy-3,5-dimethyl-1-(morpholin-4-yl)hexan-1-one
CID 71379047
(2,6-Dimethylmorpholin-4-yl)-(1-hydroxycyclohexyl)methanone
CID 71857151
(2,6-Dimethylmorpholin-4-yl)-(1-hydroxycyclopentyl)methanone
CID 71885390

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-methyl-1-morpholin-4-ylheptan-1-one?
The IUPAC name of (3R)-3-hydroxy-3-methyl-1-morpholin-4-ylheptan-1-one (CID 164675708) is (3R)-3-hydroxy-3-methyl-1-morpholin-4-ylheptan-1-one.
What is the SMILES notation for (3R)-3-hydroxy-3-methyl-1-morpholin-4-ylheptan-1-one?
The canonical SMILES for (3R)-3-hydroxy-3-methyl-1-morpholin-4-ylheptan-1-one is CCCC[C@@](C)(O)CC(=O)N1CCOCC1.
What is the InChIKey of (3R)-3-hydroxy-3-methyl-1-morpholin-4-ylheptan-1-one?
The InChIKey is YCAGLUSGOBXKDQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-4-5-12(2,15)10-11(14)13-6-8-16-9-7-13/h15H,3-10H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-3-hydroxy-3-methyl-1-morpholin-4-ylheptan-1-one?
(3R)-3-hydroxy-3-methyl-1-morpholin-4-ylheptan-1-one has a molecular weight of 229.32 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-methyl-1-morpholin-4-ylheptan-1-one is sourced from PubChem (CID 164675708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).