1-[3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(methylamino)ethanone

C10H19N3O2 — CID 137341010

IUPAC1-[3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CC2CNCC2(CO)C1
InChIInChI=1S/C10H19N3O2/c1-11-3-9(15)13-4-8-2-12-5-10(8,6-13)7-14/h8,11-12,14H,2-7H2,1H3
InChIKeyMCBMDOSKCBONGV-UHFFFAOYSA-N
MW213.28 g/mol
LogP-1.75
Rot. Bonds3

About 1-[3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(methylamino)ethanone

1-[3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(methylamino)ethanone (PubChem CID 137341010) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-[3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(methylamino)ethanone
PubChem CID137341010
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name1-[3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CC2CNCC2(CO)C1
InChIInChI=1S/C10H19N3O2/c1-11-3-9(15)13-4-8-2-12-5-10(8,6-13)7-14/h8,11-12,14H,2-7H2,1H3
InChIKeyMCBMDOSKCBONGV-UHFFFAOYSA-N
XLogP-1.75
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-1.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(methylamino)ethanone 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 1-[3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(methylamino)ethanone (CID 137341010) is 1-[3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(methylamino)ethanone is CNCC(=O)N1CC2CNCC2(CO)C1.
What is the InChIKey of 1-[3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(methylamino)ethanone?
The InChIKey is MCBMDOSKCBONGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-11-3-9(15)13-4-8-2-12-5-10(8,6-13)7-14/h8,11-12,14H,2-7H2,1H3.
What are the key properties of 1-[3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(methylamino)ethanone?
1-[3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(methylamino)ethanone has a molecular weight of 213.28 g/mol, XLogP of -1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 137341010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).