5-(hydroxymethyl)-4-pyrrolidin-2-ylmorpholin-3-one

C9H16N2O3 — CID 115102678

IUPAC5-(hydroxymethyl)-4-pyrrolidin-2-ylmorpholin-3-one
SMILESO=C1COCC(CO)N1C1CCCN1
InChIInChI=1S/C9H16N2O3/c12-4-7-5-14-6-9(13)11(7)8-2-1-3-10-8/h7-8,10,12H,1-6H2
InChIKeyCDMNEVJOGSMEMU-UHFFFAOYSA-N
MW200.24 g/mol
LogP-1.08
Rot. Bonds2

About 5-(hydroxymethyl)-4-pyrrolidin-2-ylmorpholin-3-one

5-(hydroxymethyl)-4-pyrrolidin-2-ylmorpholin-3-one (PubChem CID 115102678) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-pyrrolidin-2-ylmorpholin-3-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-pyrrolidin-2-ylmorpholin-3-one
PubChem CID115102678
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name5-(hydroxymethyl)-4-pyrrolidin-2-ylmorpholin-3-one
SMILESO=C1COCC(CO)N1C1CCCN1
InChIInChI=1S/C9H16N2O3/c12-4-7-5-14-6-9(13)11(7)8-2-1-3-10-8/h7-8,10,12H,1-6H2
InChIKeyCDMNEVJOGSMEMU-UHFFFAOYSA-N
XLogP-1.08
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(hydroxymethyl)-4-(thian-4-yl)morpholin-3-one
CID 115102593
6-(hydroxymethyl)-6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazin-4-one
CID 164875999
4-(1-ethylpiperidin-3-yl)-5-(hydroxymethyl)morpholin-3-one
CID 115102659
4-(1-ethylpyrrolidin-3-yl)-5-(hydroxymethyl)morpholin-3-one
CID 115102576
5-oxo-4-(pyrrolidin-2-ylmethyl)morpholine-3-carboxylic acid
CID 115102725
5-(hydroxymethyl)-4-(thian-3-ylmethyl)morpholin-3-one
CID 115102759
2-oxo-3-pyrrolidin-2-yl-1,3-oxazolidine-4-carboxylic acid
CID 115102426
4-(aminomethyl)-3-piperidin-2-yl-1,3-oxazolidin-2-one
CID 115102433
5-(hydroxymethyl)-4-[(1-methylpiperidin-2-yl)methyl]morpholin-3-one
CID 115102740
5-(hydroxymethyl)-4-[(1-methylpiperidin-4-yl)methyl]morpholin-3-one
CID 115102637
5-(aminomethyl)-4-(thian-2-yl)morpholin-3-one
CID 115102691
4-(4-tert-butylphenyl)-5-(hydroxymethyl)morpholin-3-one
CID 117009566

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-4-pyrrolidin-2-ylmorpholin-3-one?
The IUPAC name of 5-(hydroxymethyl)-4-pyrrolidin-2-ylmorpholin-3-one (CID 115102678) is 5-(hydroxymethyl)-4-pyrrolidin-2-ylmorpholin-3-one.
What is the SMILES notation for 5-(hydroxymethyl)-4-pyrrolidin-2-ylmorpholin-3-one?
The canonical SMILES for 5-(hydroxymethyl)-4-pyrrolidin-2-ylmorpholin-3-one is O=C1COCC(CO)N1C1CCCN1.
What is the InChIKey of 5-(hydroxymethyl)-4-pyrrolidin-2-ylmorpholin-3-one?
The InChIKey is CDMNEVJOGSMEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c12-4-7-5-14-6-9(13)11(7)8-2-1-3-10-8/h7-8,10,12H,1-6H2.
What are the key properties of 5-(hydroxymethyl)-4-pyrrolidin-2-ylmorpholin-3-one?
5-(hydroxymethyl)-4-pyrrolidin-2-ylmorpholin-3-one has a molecular weight of 200.24 g/mol, XLogP of -1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-4-pyrrolidin-2-ylmorpholin-3-one is sourced from PubChem (CID 115102678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).