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

C14H34N2O — CID 169000293

IUPAC2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol;ethane
SMILESCC.CC.CC.OCCN1CC2CNCC2C1
InChIInChI=1S/C8H16N2O.3C2H6/c11-2-1-10-5-7-3-9-4-8(7)6-10;3*1-2/h7-9,11H,1-6H2;3*1-2H3
InChIKeyZTYOJPSWPCPXMN-UHFFFAOYSA-N
MW246.44 g/mol
LogP2.21
Rot. Bonds2

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

2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol;ethane (PubChem CID 169000293) has the molecular formula C14H34N2O and a molecular weight of 246.44 g/mol. Its IUPAC name is 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol;ethane.

Molecular Properties

Compound Name2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol;ethane
PubChem CID169000293
Molecular FormulaC14H34N2O
Molecular Weight246.44 g/mol
Exact Mass246.27
IUPAC Name2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol;ethane
SMILESCC.CC.CC.OCCN1CC2CNCC2C1
InChIInChI=1S/C8H16N2O.3C2H6/c11-2-1-10-5-7-3-9-4-8(7)6-10;3*1-2/h7-9,11H,1-6H2;3*1-2H3
InChIKeyZTYOJPSWPCPXMN-UHFFFAOYSA-N
XLogP2.21
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.44
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol;ethane?
The IUPAC name of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol;ethane (CID 169000293) is 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol;ethane.
What is the SMILES notation for 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol;ethane?
The canonical SMILES for 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol;ethane is CC.CC.CC.OCCN1CC2CNCC2C1.
What is the InChIKey of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol;ethane?
The InChIKey is ZTYOJPSWPCPXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.3C2H6/c11-2-1-10-5-7-3-9-4-8(7)6-10;3*1-2/h7-9,11H,1-6H2;3*1-2H3.
What are the key properties of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol;ethane?
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol;ethane has a molecular weight of 246.44 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol;ethane is sourced from PubChem (CID 169000293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).