3,3-dimethoxy-4-methyl-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole

C10H17NO3 — CID 76659883

IUPAC3,3-dimethoxy-4-methyl-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole
SMILESC=C1CN(C)C2C1OCC2(OC)OC
InChIInChI=1S/C10H17NO3/c1-7-5-11(2)9-8(7)14-6-10(9,12-3)13-4/h8-9H,1,5-6H2,2-4H3
InChIKeyVXIPOFPRDADGKW-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.24
Rot. Bonds2

About 3,3-dimethoxy-4-methyl-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole

3,3-dimethoxy-4-methyl-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole (PubChem CID 76659883) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3,3-dimethoxy-4-methyl-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole.

Molecular Properties

Compound Name3,3-dimethoxy-4-methyl-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole
PubChem CID76659883
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3,3-dimethoxy-4-methyl-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole
SMILESC=C1CN(C)C2C1OCC2(OC)OC
InChIInChI=1S/C10H17NO3/c1-7-5-11(2)9-8(7)14-6-10(9,12-3)13-4/h8-9H,1,5-6H2,2-4H3
InChIKeyVXIPOFPRDADGKW-UHFFFAOYSA-N
XLogP0.24
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3,3-dimethoxy-4-methyl-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]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 3,3-dimethoxy-4-methyl-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole?
The IUPAC name of 3,3-dimethoxy-4-methyl-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole (CID 76659883) is 3,3-dimethoxy-4-methyl-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole.
What is the SMILES notation for 3,3-dimethoxy-4-methyl-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole?
The canonical SMILES for 3,3-dimethoxy-4-methyl-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole is C=C1CN(C)C2C1OCC2(OC)OC.
What is the InChIKey of 3,3-dimethoxy-4-methyl-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole?
The InChIKey is VXIPOFPRDADGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7-5-11(2)9-8(7)14-6-10(9,12-3)13-4/h8-9H,1,5-6H2,2-4H3.
What are the key properties of 3,3-dimethoxy-4-methyl-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole?
3,3-dimethoxy-4-methyl-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole has a molecular weight of 199.25 g/mol, XLogP of 0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxy-4-methyl-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole is sourced from PubChem (CID 76659883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).