[(3S,3aS,6aS)-4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-yl]methanol

C8H15NO2 — CID 10749447

IUPAC[(3S,3aS,6aS)-4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-yl]methanol
SMILESCN1CC[C@@H]2OC[C@H](CO)[C@@H]21
InChIInChI=1S/C8H15NO2/c1-9-3-2-7-8(9)6(4-10)5-11-7/h6-8,10H,2-5H2,1H3/t6-,7-,8-/m0/s1
InChIKeyJYLRKRHZRQQGSZ-FXQIFTODSA-N
MW157.21 g/mol
LogP-0.30
Rot. Bonds1

About [(3S,3aS,6aS)-4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-yl]methanol

[(3S,3aS,6aS)-4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-yl]methanol (PubChem CID 10749447) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is [(3S,3aS,6aS)-4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[(3S,3aS,6aS)-4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-yl]methanol
PubChem CID10749447
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name[(3S,3aS,6aS)-4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-yl]methanol
SMILESCN1CC[C@@H]2OC[C@H](CO)[C@@H]21
InChIInChI=1S/C8H15NO2/c1-9-3-2-7-8(9)6(4-10)5-11-7/h6-8,10H,2-5H2,1H3/t6-,7-,8-/m0/s1
InChIKeyJYLRKRHZRQQGSZ-FXQIFTODSA-N
XLogP-0.30
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 ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S,3aS,6aS)-4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-yl]methanol?
The IUPAC name of [(3S,3aS,6aS)-4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-yl]methanol (CID 10749447) is [(3S,3aS,6aS)-4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-yl]methanol.
What is the SMILES notation for [(3S,3aS,6aS)-4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-yl]methanol?
The canonical SMILES for [(3S,3aS,6aS)-4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-yl]methanol is CN1CC[C@@H]2OC[C@H](CO)[C@@H]21.
What is the InChIKey of [(3S,3aS,6aS)-4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-yl]methanol?
The InChIKey is JYLRKRHZRQQGSZ-FXQIFTODSA-N. The full InChI is InChI=1S/C8H15NO2/c1-9-3-2-7-8(9)6(4-10)5-11-7/h6-8,10H,2-5H2,1H3/t6-,7-,8-/m0/s1.
What are the key properties of [(3S,3aS,6aS)-4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-yl]methanol?
[(3S,3aS,6aS)-4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-yl]methanol has a molecular weight of 157.21 g/mol, XLogP of -0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,3aS,6aS)-4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-yl]methanol is sourced from PubChem (CID 10749447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).