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

C11H21NO2 — CID 127007503

IUPAC2-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-1-ol
SMILESCC(CO)N1CC(C)(C)C2COCC21
InChIInChI=1S/C11H21NO2/c1-8(4-13)12-7-11(2,3)9-5-14-6-10(9)12/h8-10,13H,4-7H2,1-3H3
InChIKeyMKGXRVSVWYJZBA-UHFFFAOYSA-N
MW199.29 g/mol
LogP0.72
Rot. Bonds2

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

2-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-1-ol (PubChem CID 127007503) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-1-ol
PubChem CID127007503
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-1-ol
SMILESCC(CO)N1CC(C)(C)C2COCC21
InChIInChI=1S/C11H21NO2/c1-8(4-13)12-7-11(2,3)9-5-14-6-10(9)12/h8-10,13H,4-7H2,1-3H3
InChIKeyMKGXRVSVWYJZBA-UHFFFAOYSA-N
XLogP0.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-1-ol?
The IUPAC name of 2-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-1-ol (CID 127007503) is 2-(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 2-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-1-ol?
The canonical SMILES for 2-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-1-ol is CC(CO)N1CC(C)(C)C2COCC21.
What is the InChIKey of 2-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-1-ol?
The InChIKey is MKGXRVSVWYJZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(4-13)12-7-11(2,3)9-5-14-6-10(9)12/h8-10,13H,4-7H2,1-3H3.
What are the key properties of 2-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-1-ol?
2-(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 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-1-ol is sourced from PubChem (CID 127007503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).