3-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole

C7H13NO — CID 59074343

IUPAC3-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole
SMILESCC1COC2CNCC12
InChIInChI=1S/C7H13NO/c1-5-4-9-7-3-8-2-6(5)7/h5-8H,2-4H2,1H3
InChIKeyFGBWIJBYLCZIGJ-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.24
Rot. Bonds

About 3-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole

3-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole (PubChem CID 59074343) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole.

Molecular Properties

Compound Name3-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole
PubChem CID59074343
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole
SMILESCC1COC2CNCC12
InChIInChI=1S/C7H13NO/c1-5-4-9-7-3-8-2-6(5)7/h5-8H,2-4H2,1H3
InChIKeyFGBWIJBYLCZIGJ-UHFFFAOYSA-N
XLogP0.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[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 3-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole?
The IUPAC name of 3-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole (CID 59074343) is 3-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole.
What is the SMILES notation for 3-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole?
The canonical SMILES for 3-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole is CC1COC2CNCC12.
What is the InChIKey of 3-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole?
The InChIKey is FGBWIJBYLCZIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5-4-9-7-3-8-2-6(5)7/h5-8H,2-4H2,1H3.
What are the key properties of 3-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole?
3-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole has a molecular weight of 127.19 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole is sourced from PubChem (CID 59074343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).