2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol

C9H18N2O — CID 66208043

IUPAC2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol
SMILESCC1C2CNCC2CN1CCO
InChIInChI=1S/C9H18N2O/c1-7-9-5-10-4-8(9)6-11(7)2-3-12/h7-10,12H,2-6H2,1H3
InChIKeyLKOLWZWGXIZYEN-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.48
Rot. Bonds2

About 2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol

2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol (PubChem CID 66208043) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol.

Molecular Properties

Compound Name2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol
PubChem CID66208043
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol
SMILESCC1C2CNCC2CN1CCO
InChIInChI=1S/C9H18N2O/c1-7-9-5-10-4-8(9)6-11(7)2-3-12/h7-10,12H,2-6H2,1H3
InChIKeyLKOLWZWGXIZYEN-UHFFFAOYSA-N
XLogP-0.48
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol?
The IUPAC name of 2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol (CID 66208043) is 2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol.
What is the SMILES notation for 2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol?
The canonical SMILES for 2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol is CC1C2CNCC2CN1CCO.
What is the InChIKey of 2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol?
The InChIKey is LKOLWZWGXIZYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7-9-5-10-4-8(9)6-11(7)2-3-12/h7-10,12H,2-6H2,1H3.
What are the key properties of 2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol?
2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol has a molecular weight of 170.26 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol is sourced from PubChem (CID 66208043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).