ethane;1-hydroxy-4-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine

C10H22N2O — CID 144778775

IUPACethane;1-hydroxy-4-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine
SMILESCC.CC1NCCC2C1CCN2O
InChIInChI=1S/C8H16N2O.C2H6/c1-6-7-3-5-10(11)8(7)2-4-9-6;1-2/h6-9,11H,2-5H2,1H3;1-2H3
InChIKeyVWUULQKLEKIWCI-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.47
Rot. Bonds

About ethane;1-hydroxy-4-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine

ethane;1-hydroxy-4-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine (PubChem CID 144778775) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is ethane;1-hydroxy-4-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Nameethane;1-hydroxy-4-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine
PubChem CID144778775
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Nameethane;1-hydroxy-4-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine
SMILESCC.CC1NCCC2C1CCN2O
InChIInChI=1S/C8H16N2O.C2H6/c1-6-7-3-5-10(11)8(7)2-4-9-6;1-2/h6-9,11H,2-5H2,1H3;1-2H3
InChIKeyVWUULQKLEKIWCI-UHFFFAOYSA-N
XLogP1.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-hydroxy-4-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine?
The IUPAC name of ethane;1-hydroxy-4-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine (CID 144778775) is ethane;1-hydroxy-4-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine.
What is the SMILES notation for ethane;1-hydroxy-4-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine?
The canonical SMILES for ethane;1-hydroxy-4-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine is CC.CC1NCCC2C1CCN2O.
What is the InChIKey of ethane;1-hydroxy-4-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine?
The InChIKey is VWUULQKLEKIWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.C2H6/c1-6-7-3-5-10(11)8(7)2-4-9-6;1-2/h6-9,11H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;1-hydroxy-4-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine?
ethane;1-hydroxy-4-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine has a molecular weight of 186.30 g/mol, XLogP of 1.47, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-hydroxy-4-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 144778775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).