2-(1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-6-yl)ethanol

C10H20N2O — CID 126993434

IUPAC2-(1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-6-yl)ethanol
SMILESCN1CCC2CCN(CCO)CC21
InChIInChI=1S/C10H20N2O/c1-11-4-2-9-3-5-12(6-7-13)8-10(9)11/h9-10,13H,2-8H2,1H3
InChIKeyDGBXMQOWFCMDCP-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.00
Rot. Bonds2

About 2-(1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-6-yl)ethanol

2-(1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-6-yl)ethanol (PubChem CID 126993434) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-6-yl)ethanol.

Molecular Properties

Compound Name2-(1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-6-yl)ethanol
PubChem CID126993434
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-(1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-6-yl)ethanol
SMILESCN1CCC2CCN(CCO)CC21
InChIInChI=1S/C10H20N2O/c1-11-4-2-9-3-5-12(6-7-13)8-10(9)11/h9-10,13H,2-8H2,1H3
InChIKeyDGBXMQOWFCMDCP-UHFFFAOYSA-N
XLogP0.00
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-6-yl)ethanol?
The IUPAC name of 2-(1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-6-yl)ethanol (CID 126993434) is 2-(1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-6-yl)ethanol.
What is the SMILES notation for 2-(1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-6-yl)ethanol?
The canonical SMILES for 2-(1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-6-yl)ethanol is CN1CCC2CCN(CCO)CC21.
What is the InChIKey of 2-(1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-6-yl)ethanol?
The InChIKey is DGBXMQOWFCMDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-11-4-2-9-3-5-12(6-7-13)8-10(9)11/h9-10,13H,2-8H2,1H3.
What are the key properties of 2-(1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-6-yl)ethanol?
2-(1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-6-yl)ethanol has a molecular weight of 184.28 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-6-yl)ethanol is sourced from PubChem (CID 126993434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).