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

C10H19NO2 — CID 131091716

IUPAC2-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)ethanol
SMILESCC1(C)CN(CCO)C2COCC21
InChIInChI=1S/C10H19NO2/c1-10(2)7-11(3-4-12)9-6-13-5-8(9)10/h8-9,12H,3-7H2,1-2H3
InChIKeyAKYHHCMRFLXLTQ-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.34
Rot. Bonds2

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

2-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)ethanol (PubChem CID 131091716) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)ethanol.

Molecular Properties

Compound Name2-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)ethanol
PubChem CID131091716
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)ethanol
SMILESCC1(C)CN(CCO)C2COCC21
InChIInChI=1S/C10H19NO2/c1-10(2)7-11(3-4-12)9-6-13-5-8(9)10/h8-9,12H,3-7H2,1-2H3
InChIKeyAKYHHCMRFLXLTQ-UHFFFAOYSA-N
XLogP0.34
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.34
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)ethanol?
The IUPAC name of 2-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)ethanol (CID 131091716) is 2-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)ethanol.
What is the SMILES notation for 2-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)ethanol?
The canonical SMILES for 2-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)ethanol is CC1(C)CN(CCO)C2COCC21.
What is the InChIKey of 2-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)ethanol?
The InChIKey is AKYHHCMRFLXLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-10(2)7-11(3-4-12)9-6-13-5-8(9)10/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 2-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)ethanol?
2-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)ethanol has a molecular weight of 185.27 g/mol, XLogP of 0.34, 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)ethanol is sourced from PubChem (CID 131091716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).