2-[2-(hydroxymethyl)morpholin-4-yl]pentan-3-one

C10H19NO3 — CID 81204253

IUPAC2-[2-(hydroxymethyl)morpholin-4-yl]pentan-3-one
SMILESCCC(=O)C(C)N1CCOC(CO)C1
InChIInChI=1S/C10H19NO3/c1-3-10(13)8(2)11-4-5-14-9(6-11)7-12/h8-9,12H,3-7H2,1-2H3
InChIKeyOQBHUDRDDADPMJ-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.05
Rot. Bonds4

About 2-[2-(hydroxymethyl)morpholin-4-yl]pentan-3-one

2-[2-(hydroxymethyl)morpholin-4-yl]pentan-3-one (PubChem CID 81204253) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)morpholin-4-yl]pentan-3-one.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)morpholin-4-yl]pentan-3-one
PubChem CID81204253
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-[2-(hydroxymethyl)morpholin-4-yl]pentan-3-one
SMILESCCC(=O)C(C)N1CCOC(CO)C1
InChIInChI=1S/C10H19NO3/c1-3-10(13)8(2)11-4-5-14-9(6-11)7-12/h8-9,12H,3-7H2,1-2H3
InChIKeyOQBHUDRDDADPMJ-UHFFFAOYSA-N
XLogP0.05
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81204702
2-(2-methyl-1,4-oxazepan-4-yl)pentan-3-one
CID 64866930
1-(3,4-dimethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81204175
1-(2,4-dichlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81204933
2-[2-(aminomethyl)morpholin-4-yl]-N-propan-2-ylpropanamide
CID 61338185
(2S)-N-cyclopropyl-2-[(2R)-2-ethylmorpholin-4-yl]propanamide
CID 95282446
5-[1-[2-(hydroxymethyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid
CID 81204459
2-[2-(aminomethyl)morpholin-4-yl]-N-cyclopropylpropanamide
CID 61338383
(2R)-N-carbamoyl-2-[(2S)-2-ethylmorpholin-4-yl]propanamide
CID 98752361
2-[2-(aminomethyl)morpholin-4-yl]-N-(ethylcarbamoyl)propanamide
CID 61338002
[(2R)-4-[(1R)-1-(4-propan-2-ylphenyl)ethyl]morpholin-2-yl]methanol
CID 99108798
3-[2-(hydroxymethyl)morpholin-4-yl]pentanethioamide
CID 81203856

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)morpholin-4-yl]pentan-3-one?
The IUPAC name of 2-[2-(hydroxymethyl)morpholin-4-yl]pentan-3-one (CID 81204253) is 2-[2-(hydroxymethyl)morpholin-4-yl]pentan-3-one.
What is the SMILES notation for 2-[2-(hydroxymethyl)morpholin-4-yl]pentan-3-one?
The canonical SMILES for 2-[2-(hydroxymethyl)morpholin-4-yl]pentan-3-one is CCC(=O)C(C)N1CCOC(CO)C1.
What is the InChIKey of 2-[2-(hydroxymethyl)morpholin-4-yl]pentan-3-one?
The InChIKey is OQBHUDRDDADPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-10(13)8(2)11-4-5-14-9(6-11)7-12/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 2-[2-(hydroxymethyl)morpholin-4-yl]pentan-3-one?
2-[2-(hydroxymethyl)morpholin-4-yl]pentan-3-one has a molecular weight of 201.27 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)morpholin-4-yl]pentan-3-one is sourced from PubChem (CID 81204253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).