5-(aminomethyl)-4-(1-methylpyrrolidin-3-yl)morpholin-3-one

C10H19N3O2 — CID 115102568

IUPAC5-(aminomethyl)-4-(1-methylpyrrolidin-3-yl)morpholin-3-one
SMILESCN1CCC(N2C(=O)COCC2CN)C1
InChIInChI=1S/C10H19N3O2/c1-12-3-2-8(5-12)13-9(4-11)6-15-7-10(13)14/h8-9H,2-7,11H2,1H3
InChIKeyPZSLZACTQMSBFY-UHFFFAOYSA-N
MW213.28 g/mol
LogP-1.12
Rot. Bonds2

About 5-(aminomethyl)-4-(1-methylpyrrolidin-3-yl)morpholin-3-one

5-(aminomethyl)-4-(1-methylpyrrolidin-3-yl)morpholin-3-one (PubChem CID 115102568) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-(aminomethyl)-4-(1-methylpyrrolidin-3-yl)morpholin-3-one.

Molecular Properties

Compound Name5-(aminomethyl)-4-(1-methylpyrrolidin-3-yl)morpholin-3-one
PubChem CID115102568
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name5-(aminomethyl)-4-(1-methylpyrrolidin-3-yl)morpholin-3-one
SMILESCN1CCC(N2C(=O)COCC2CN)C1
InChIInChI=1S/C10H19N3O2/c1-12-3-2-8(5-12)13-9(4-11)6-15-7-10(13)14/h8-9H,2-7,11H2,1H3
InChIKeyPZSLZACTQMSBFY-UHFFFAOYSA-N
XLogP-1.12
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-4-(1-methylpiperidin-3-yl)morpholin-3-one
CID 115102651
4-(1-ethylpyrrolidin-3-yl)-5-(hydroxymethyl)morpholin-3-one
CID 115102576
4-(1-ethylpiperidin-3-yl)-5-(hydroxymethyl)morpholin-3-one
CID 115102659
4-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxylic acid
CID 115102665
5-(aminomethyl)-4-(thian-2-yl)morpholin-3-one
CID 115102691
(9aR)-8-methyl-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one
CID 58439173
6-(aminomethyl)-4-methyl-1,4-oxazepan-3-one;ethane
CID 143680577
5-(hydroxymethyl)-4-[(1-methylpiperidin-4-yl)methyl]morpholin-3-one
CID 115102637
6-(aminomethyl)-4-(1-methylpiperidin-4-yl)morpholin-3-one
CID 115102895
3-(4-cyclopropyl-5-oxomorpholin-3-yl)propanoic acid
CID 115060435
6-(hydroxymethyl)-6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazin-4-one
CID 164875999
5-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one
CID 115102750

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-(1-methylpyrrolidin-3-yl)morpholin-3-one?
The IUPAC name of 5-(aminomethyl)-4-(1-methylpyrrolidin-3-yl)morpholin-3-one (CID 115102568) is 5-(aminomethyl)-4-(1-methylpyrrolidin-3-yl)morpholin-3-one.
What is the SMILES notation for 5-(aminomethyl)-4-(1-methylpyrrolidin-3-yl)morpholin-3-one?
The canonical SMILES for 5-(aminomethyl)-4-(1-methylpyrrolidin-3-yl)morpholin-3-one is CN1CCC(N2C(=O)COCC2CN)C1.
What is the InChIKey of 5-(aminomethyl)-4-(1-methylpyrrolidin-3-yl)morpholin-3-one?
The InChIKey is PZSLZACTQMSBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-12-3-2-8(5-12)13-9(4-11)6-15-7-10(13)14/h8-9H,2-7,11H2,1H3.
What are the key properties of 5-(aminomethyl)-4-(1-methylpyrrolidin-3-yl)morpholin-3-one?
5-(aminomethyl)-4-(1-methylpyrrolidin-3-yl)morpholin-3-one has a molecular weight of 213.28 g/mol, XLogP of -1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-(1-methylpyrrolidin-3-yl)morpholin-3-one is sourced from PubChem (CID 115102568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).