3a-methoxy-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole

C7H14N2O — CID 137488667

IUPAC3a-methoxy-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
SMILESCOC12CCNC1CNC2
InChIInChI=1S/C7H14N2O/c1-10-7-2-3-9-6(7)4-8-5-7/h6,8-9H,2-5H2,1H3
InChIKeyHXWPUGTZODPDHO-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.66
Rot. Bonds1

About 3a-methoxy-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole

3a-methoxy-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole (PubChem CID 137488667) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 3a-methoxy-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name3a-methoxy-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
PubChem CID137488667
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name3a-methoxy-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
SMILESCOC12CCNC1CNC2
InChIInChI=1S/C7H14N2O/c1-10-7-2-3-9-6(7)4-8-5-7/h6,8-9H,2-5H2,1H3
InChIKeyHXWPUGTZODPDHO-UHFFFAOYSA-N
XLogP-0.66
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3a-methoxy-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole 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 3a-methoxy-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole?
The IUPAC name of 3a-methoxy-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole (CID 137488667) is 3a-methoxy-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole.
What is the SMILES notation for 3a-methoxy-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole?
The canonical SMILES for 3a-methoxy-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole is COC12CCNC1CNC2.
What is the InChIKey of 3a-methoxy-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole?
The InChIKey is HXWPUGTZODPDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-10-7-2-3-9-6(7)4-8-5-7/h6,8-9H,2-5H2,1H3.
What are the key properties of 3a-methoxy-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole?
3a-methoxy-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole has a molecular weight of 142.20 g/mol, XLogP of -0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-methoxy-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 137488667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).