[(3aS,4S,6aR)-5-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-4-yl]methanol

C8H15NO2 — CID 67565976

IUPAC[(3aS,4S,6aR)-5-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-4-yl]methanol
SMILESCN1C[C@@H]2COC[C@@H]2[C@H]1CO
InChIInChI=1S/C8H15NO2/c1-9-2-6-4-11-5-7(6)8(9)3-10/h6-8,10H,2-5H2,1H3/t6-,7+,8-/m1/s1
InChIKeyAEHMVLOLVXCCIT-GJMOJQLCSA-N
MW157.21 g/mol
LogP-0.44
Rot. Bonds1

About [(3aS,4S,6aR)-5-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-4-yl]methanol

[(3aS,4S,6aR)-5-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-4-yl]methanol (PubChem CID 67565976) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is [(3aS,4S,6aR)-5-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-4-yl]methanol.

Molecular Properties

Compound Name[(3aS,4S,6aR)-5-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-4-yl]methanol
PubChem CID67565976
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name[(3aS,4S,6aR)-5-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-4-yl]methanol
SMILESCN1C[C@@H]2COC[C@@H]2[C@H]1CO
InChIInChI=1S/C8H15NO2/c1-9-2-6-4-11-5-7(6)8(9)3-10/h6-8,10H,2-5H2,1H3/t6-,7+,8-/m1/s1
InChIKeyAEHMVLOLVXCCIT-GJMOJQLCSA-N
XLogP-0.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3aS,4S,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrol-4-yl]methanol
CID 58907301
(2,2,5-trimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrol-4-yl)methanol
CID 121474512
1-[(7R,7aS)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-7-yl]ethane-1,2-diol
CID 141470037
2-[(7R,7aS)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-7-yl]ethanol
CID 150809178
(1-methyl-3,3a,4,6-tetrahydro-2H-furo[3,4-b]pyrrol-6a-yl)methanol
CID 166818881
(1-methyl-3,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-3a-yl)methanol
CID 166819002
[3-Methyl-1-(oxolan-3-ylmethyl)pyrrolidin-2-yl]methanol
CID 102787800
2-(Oxolan-3-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 117237628
2-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-1-ol
CID 127007503
(2R)-1-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-2-ol
CID 130767489
3-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)propan-1-ol
CID 130964252
2-(3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl)ethanol
CID 131091716

Frequently Asked Questions

What is the IUPAC name of [(3aS,4S,6aR)-5-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-4-yl]methanol?
The IUPAC name of [(3aS,4S,6aR)-5-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-4-yl]methanol (CID 67565976) is [(3aS,4S,6aR)-5-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-4-yl]methanol.
What is the SMILES notation for [(3aS,4S,6aR)-5-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-4-yl]methanol?
The canonical SMILES for [(3aS,4S,6aR)-5-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-4-yl]methanol is CN1C[C@@H]2COC[C@@H]2[C@H]1CO.
What is the InChIKey of [(3aS,4S,6aR)-5-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-4-yl]methanol?
The InChIKey is AEHMVLOLVXCCIT-GJMOJQLCSA-N. The full InChI is InChI=1S/C8H15NO2/c1-9-2-6-4-11-5-7(6)8(9)3-10/h6-8,10H,2-5H2,1H3/t6-,7+,8-/m1/s1.
What are the key properties of [(3aS,4S,6aR)-5-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-4-yl]methanol?
[(3aS,4S,6aR)-5-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-4-yl]methanol has a molecular weight of 157.21 g/mol, XLogP of -0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,4S,6aR)-5-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-4-yl]methanol is sourced from PubChem (CID 67565976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).