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

C8H16N2O — CID 118104173

IUPAC(5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3-yl)methanol
SMILESCN1CC2CNC(CO)C2C1
InChIInChI=1S/C8H16N2O/c1-10-3-6-2-9-8(5-11)7(6)4-10/h6-9,11H,2-5H2,1H3
InChIKeyIEUQVMSNOIHIEU-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.87
Rot. Bonds1

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

(5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3-yl)methanol (PubChem CID 118104173) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3-yl)methanol.

Molecular Properties

Compound Name(5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3-yl)methanol
PubChem CID118104173
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3-yl)methanol
SMILESCN1CC2CNC(CO)C2C1
InChIInChI=1S/C8H16N2O/c1-10-3-6-2-9-8(5-11)7(6)4-10/h6-9,11H,2-5H2,1H3
InChIKeyIEUQVMSNOIHIEU-UHFFFAOYSA-N
XLogP-0.87
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3-yl)methanol?
The IUPAC name of (5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3-yl)methanol (CID 118104173) is (5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3-yl)methanol.
What is the SMILES notation for (5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3-yl)methanol?
The canonical SMILES for (5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3-yl)methanol is CN1CC2CNC(CO)C2C1.
What is the InChIKey of (5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3-yl)methanol?
The InChIKey is IEUQVMSNOIHIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-10-3-6-2-9-8(5-11)7(6)4-10/h6-9,11H,2-5H2,1H3.
What are the key properties of (5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3-yl)methanol?
(5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3-yl)methanol has a molecular weight of 156.23 g/mol, XLogP of -0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3-yl)methanol is sourced from PubChem (CID 118104173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).