[(3aS,4S,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrol-4-yl]methanol

C7H13NO2 — CID 58907301

IUPAC[(3aS,4S,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrol-4-yl]methanol
SMILESOC[C@H]1NC[C@@H]2COC[C@@H]21
InChIInChI=1S/C7H13NO2/c9-2-7-6-4-10-3-5(6)1-8-7/h5-9H,1-4H2/t5-,6+,7-/m1/s1
InChIKeyIMXQPIPCPQUMHE-DSYKOEDSSA-N
MW143.19 g/mol
LogP-0.79
Rot. Bonds1

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

[(3aS,4S,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrol-4-yl]methanol (PubChem CID 58907301) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is [(3aS,4S,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrol-4-yl]methanol.

Molecular Properties

Compound Name[(3aS,4S,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrol-4-yl]methanol
PubChem CID58907301
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name[(3aS,4S,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrol-4-yl]methanol
SMILESOC[C@H]1NC[C@@H]2COC[C@@H]21
InChIInChI=1S/C7H13NO2/c9-2-7-6-4-10-3-5(6)1-8-7/h5-9H,1-4H2/t5-,6+,7-/m1/s1
InChIKeyIMXQPIPCPQUMHE-DSYKOEDSSA-N
XLogP-0.79
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3aS,4S,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrol-4-yl]methanol?
The IUPAC name of [(3aS,4S,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrol-4-yl]methanol (CID 58907301) is [(3aS,4S,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrol-4-yl]methanol.
What is the SMILES notation for [(3aS,4S,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrol-4-yl]methanol?
The canonical SMILES for [(3aS,4S,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrol-4-yl]methanol is OC[C@H]1NC[C@@H]2COC[C@@H]21.
What is the InChIKey of [(3aS,4S,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrol-4-yl]methanol?
The InChIKey is IMXQPIPCPQUMHE-DSYKOEDSSA-N. The full InChI is InChI=1S/C7H13NO2/c9-2-7-6-4-10-3-5(6)1-8-7/h5-9H,1-4H2/t5-,6+,7-/m1/s1.
What are the key properties of [(3aS,4S,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrol-4-yl]methanol?
[(3aS,4S,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrol-4-yl]methanol has a molecular weight of 143.19 g/mol, XLogP of -0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,4S,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrol-4-yl]methanol is sourced from PubChem (CID 58907301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).