2-hydroxy-2-methyl-1-(3-methylmorpholin-4-yl)propan-1-one

C9H17NO3 — CID 103429510

IUPAC2-hydroxy-2-methyl-1-(3-methylmorpholin-4-yl)propan-1-one
SMILESCC1COCCN1C(=O)C(C)(C)O
InChIInChI=1S/C9H17NO3/c1-7-6-13-5-4-10(7)8(11)9(2,3)12/h7,12H,4-6H2,1-3H3
InChIKeyVBXNMNDRBOAKCV-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.00
Rot. Bonds1

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

2-hydroxy-2-methyl-1-(3-methylmorpholin-4-yl)propan-1-one (PubChem CID 103429510) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-(3-methylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-(3-methylmorpholin-4-yl)propan-1-one
PubChem CID103429510
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-hydroxy-2-methyl-1-(3-methylmorpholin-4-yl)propan-1-one
SMILESCC1COCCN1C(=O)C(C)(C)O
InChIInChI=1S/C9H17NO3/c1-7-6-13-5-4-10(7)8(11)9(2,3)12/h7,12H,4-6H2,1-3H3
InChIKeyVBXNMNDRBOAKCV-UHFFFAOYSA-N
XLogP0.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2,2,3-trimethyl-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 106774586
2-amino-2-methyl-1-(3-methylmorpholin-4-yl)pentan-1-one
CID 60848214
(3R)-N-tert-butyl-3-methylmorpholine-4-carboxamide
CID 106774167
2-(4-aminophenyl)-2-methyl-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one
CID 106774544
(2R)-2-amino-3,3-dimethyl-1-(3-methylmorpholin-4-yl)butan-1-one
CID 103928483
methyl 3-methylmorpholine-4-carboxylate
CID 110292243
3-methyl-1-(3-methylmorpholin-4-yl)but-2-en-1-one
CID 130157030
[(3S)-3-methylmorpholin-4-yl]-(oxan-4-yl)methanone
CID 95614757
[(3S)-3-methylmorpholin-4-yl]-(oxolan-3-yl)methanone
CID 130180210
3-methyl-4-prop-1-en-2-ylmorpholine
CID 145355299
2-[ethyl-(3-methylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
CID 62820763
2-(hydroxymethyl)-1-(3-methylmorpholin-4-yl)prop-2-en-1-one
CID 131132260

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-(3-methylmorpholin-4-yl)propan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-1-(3-methylmorpholin-4-yl)propan-1-one (CID 103429510) is 2-hydroxy-2-methyl-1-(3-methylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-(3-methylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-(3-methylmorpholin-4-yl)propan-1-one is CC1COCCN1C(=O)C(C)(C)O.
What is the InChIKey of 2-hydroxy-2-methyl-1-(3-methylmorpholin-4-yl)propan-1-one?
The InChIKey is VBXNMNDRBOAKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7-6-13-5-4-10(7)8(11)9(2,3)12/h7,12H,4-6H2,1-3H3.
What are the key properties of 2-hydroxy-2-methyl-1-(3-methylmorpholin-4-yl)propan-1-one?
2-hydroxy-2-methyl-1-(3-methylmorpholin-4-yl)propan-1-one has a molecular weight of 187.24 g/mol, XLogP of 0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-1-(3-methylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 103429510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).