4-(1-ethylpyrrolidin-3-yl)-5-(hydroxymethyl)morpholin-3-one

C11H20N2O3 — CID 115102576

IUPAC4-(1-ethylpyrrolidin-3-yl)-5-(hydroxymethyl)morpholin-3-one
SMILESCCN1CCC(N2C(=O)COCC2CO)C1
InChIInChI=1S/C11H20N2O3/c1-2-12-4-3-9(5-12)13-10(6-14)7-16-8-11(13)15/h9-10,14H,2-8H2,1H3
InChIKeyBKEZJMXMQAEDAW-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.70
Rot. Bonds3

About 4-(1-ethylpyrrolidin-3-yl)-5-(hydroxymethyl)morpholin-3-one

4-(1-ethylpyrrolidin-3-yl)-5-(hydroxymethyl)morpholin-3-one (PubChem CID 115102576) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-(1-ethylpyrrolidin-3-yl)-5-(hydroxymethyl)morpholin-3-one.

Molecular Properties

Compound Name4-(1-ethylpyrrolidin-3-yl)-5-(hydroxymethyl)morpholin-3-one
PubChem CID115102576
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name4-(1-ethylpyrrolidin-3-yl)-5-(hydroxymethyl)morpholin-3-one
SMILESCCN1CCC(N2C(=O)COCC2CO)C1
InChIInChI=1S/C11H20N2O3/c1-2-12-4-3-9(5-12)13-10(6-14)7-16-8-11(13)15/h9-10,14H,2-8H2,1H3
InChIKeyBKEZJMXMQAEDAW-UHFFFAOYSA-N
XLogP-0.70
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-ethylpiperidin-3-yl)-5-(hydroxymethyl)morpholin-3-one
CID 115102659
4-(1-ethylpiperidin-3-yl)-5-oxomorpholine-3-carboxylic acid
CID 115102666
5-(hydroxymethyl)-4-(thian-4-yl)morpholin-3-one
CID 115102593
5-(aminomethyl)-4-(1-methylpyrrolidin-3-yl)morpholin-3-one
CID 115102568
6-(hydroxymethyl)-6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazin-4-one
CID 164875999
5-(aminomethyl)-4-(1-methylpiperidin-3-yl)morpholin-3-one
CID 115102651
5-(hydroxymethyl)-4-pyrrolidin-2-ylmorpholin-3-one
CID 115102678
5-(hydroxymethyl)-4-[(1-methylpiperidin-4-yl)methyl]morpholin-3-one
CID 115102637
3-(4-cyclopropyl-5-oxomorpholin-3-yl)propanoic acid
CID 115060435
4-(1,1-dioxothiolan-3-yl)-5-(2-hydroxyethyl)morpholin-3-one
CID 117009620
[1-(1-ethylpyrrolidin-3-yl)pyrrolidin-3-yl]methanol
CID 117005885
3-[(1-ethylpiperidin-3-yl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 115102503

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrrolidin-3-yl)-5-(hydroxymethyl)morpholin-3-one?
The IUPAC name of 4-(1-ethylpyrrolidin-3-yl)-5-(hydroxymethyl)morpholin-3-one (CID 115102576) is 4-(1-ethylpyrrolidin-3-yl)-5-(hydroxymethyl)morpholin-3-one.
What is the SMILES notation for 4-(1-ethylpyrrolidin-3-yl)-5-(hydroxymethyl)morpholin-3-one?
The canonical SMILES for 4-(1-ethylpyrrolidin-3-yl)-5-(hydroxymethyl)morpholin-3-one is CCN1CCC(N2C(=O)COCC2CO)C1.
What is the InChIKey of 4-(1-ethylpyrrolidin-3-yl)-5-(hydroxymethyl)morpholin-3-one?
The InChIKey is BKEZJMXMQAEDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-12-4-3-9(5-12)13-10(6-14)7-16-8-11(13)15/h9-10,14H,2-8H2,1H3.
What are the key properties of 4-(1-ethylpyrrolidin-3-yl)-5-(hydroxymethyl)morpholin-3-one?
4-(1-ethylpyrrolidin-3-yl)-5-(hydroxymethyl)morpholin-3-one has a molecular weight of 228.29 g/mol, XLogP of -0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrrolidin-3-yl)-5-(hydroxymethyl)morpholin-3-one is sourced from PubChem (CID 115102576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).