2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylethanone

C12H22N2O3 — CID 102787870

IUPAC2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylethanone
SMILESCC1CCN(CC(=O)N2CCOCC2)C1CO
InChIInChI=1S/C12H22N2O3/c1-10-2-3-14(11(10)9-15)8-12(16)13-4-6-17-7-5-13/h10-11,15H,2-9H2,1H3
InChIKeyDQIBXYGEZXDELN-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.45
Rot. Bonds3

About 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylethanone

2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 102787870) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylethanone
PubChem CID102787870
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylethanone
SMILESCC1CCN(CC(=O)N2CCOCC2)C1CO
InChIInChI=1S/C12H22N2O3/c1-10-2-3-14(11(10)9-15)8-12(16)13-4-6-17-7-5-13/h10-11,15H,2-9H2,1H3
InChIKeyDQIBXYGEZXDELN-UHFFFAOYSA-N
XLogP-0.45
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylethanone (CID 102787870) is 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylethanone is CC1CCN(CC(=O)N2CCOCC2)C1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is DQIBXYGEZXDELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-10-2-3-14(11(10)9-15)8-12(16)13-4-6-17-7-5-13/h10-11,15H,2-9H2,1H3.
What are the key properties of 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylethanone?
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 242.32 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 102787870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).