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

C11H21NO2 — CID 130767489

IUPAC(2R)-1-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-2-ol
SMILESC[C@@H](O)CN1CC(C)(C)C2COCC21
InChIInChI=1S/C11H21NO2/c1-8(13)4-12-7-11(2,3)9-5-14-6-10(9)12/h8-10,13H,4-7H2,1-3H3/t8-,9?,10?/m1/s1
InChIKeyPUCWWJDFWUENFF-XNWIYYODSA-N
MW199.29 g/mol
LogP0.72
Rot. Bonds2

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

(2R)-1-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-2-ol (PubChem CID 130767489) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (2R)-1-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-2-ol
PubChem CID130767489
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(2R)-1-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-2-ol
SMILESC[C@@H](O)CN1CC(C)(C)C2COCC21
InChIInChI=1S/C11H21NO2/c1-8(13)4-12-7-11(2,3)9-5-14-6-10(9)12/h8-10,13H,4-7H2,1-3H3/t8-,9?,10?/m1/s1
InChIKeyPUCWWJDFWUENFF-XNWIYYODSA-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 (2R)-1-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-2-ol (CID 130767489) is (2R)-1-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-2-ol is C[C@@H](O)CN1CC(C)(C)C2COCC21.
What is the InChIKey of (2R)-1-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-2-ol?
The InChIKey is PUCWWJDFWUENFF-XNWIYYODSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(13)4-12-7-11(2,3)9-5-14-6-10(9)12/h8-10,13H,4-7H2,1-3H3/t8-,9?,10?/m1/s1.
What are the key properties of (2R)-1-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-2-ol?
(2R)-1-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-2-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 (2R)-1-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-2-ol is sourced from PubChem (CID 130767489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).