3-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-1-ol

C11H21NO2 — CID 130964252

IUPAC3-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-1-ol
SMILESCC1(C)CN(CCCO)C2COCC21
InChIInChI=1S/C11H21NO2/c1-11(2)8-12(4-3-5-13)10-7-14-6-9(10)11/h9-10,13H,3-8H2,1-2H3
InChIKeyMSCBSWWOXCVUGP-UHFFFAOYSA-N
MW199.29 g/mol
LogP0.73
Rot. Bonds3

About 3-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-1-ol

3-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-1-ol (PubChem CID 130964252) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-1-ol
PubChem CID130964252
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-1-ol
SMILESCC1(C)CN(CCCO)C2COCC21
InChIInChI=1S/C11H21NO2/c1-11(2)8-12(4-3-5-13)10-7-14-6-9(10)11/h9-10,13H,3-8H2,1-2H3
InChIKeyMSCBSWWOXCVUGP-UHFFFAOYSA-N
XLogP0.73
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-1-ol 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-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-1-ol?
The IUPAC name of 3-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-1-ol (CID 130964252) is 3-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-1-ol.
What is the SMILES notation for 3-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-1-ol?
The canonical SMILES for 3-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-1-ol is CC1(C)CN(CCCO)C2COCC21.
What is the InChIKey of 3-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-1-ol?
The InChIKey is MSCBSWWOXCVUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2)8-12(4-3-5-13)10-7-14-6-9(10)11/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 3-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-1-ol?
3-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-1-ol has a molecular weight of 199.29 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-1-ol is sourced from PubChem (CID 130964252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).