ethane;1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-7-ol

C11H23NO — CID 168995573

IUPACethane;1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-7-ol
SMILESCC.CN1CCC2CCCC(O)C21
InChIInChI=1S/C9H17NO.C2H6/c1-10-6-5-7-3-2-4-8(11)9(7)10;1-2/h7-9,11H,2-6H2,1H3;1-2H3
InChIKeyXPRQHRLUGNZEAH-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.88
Rot. Bonds

About ethane;1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-7-ol

ethane;1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-7-ol (PubChem CID 168995573) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is ethane;1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-7-ol.

Molecular Properties

Compound Nameethane;1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-7-ol
PubChem CID168995573
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Nameethane;1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-7-ol
SMILESCC.CN1CCC2CCCC(O)C21
InChIInChI=1S/C9H17NO.C2H6/c1-10-6-5-7-3-2-4-8(11)9(7)10;1-2/h7-9,11H,2-6H2,1H3;1-2H3
InChIKeyXPRQHRLUGNZEAH-UHFFFAOYSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-7-ol?
The IUPAC name of ethane;1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-7-ol (CID 168995573) is ethane;1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-7-ol.
What is the SMILES notation for ethane;1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-7-ol?
The canonical SMILES for ethane;1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-7-ol is CC.CN1CCC2CCCC(O)C21.
What is the InChIKey of ethane;1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-7-ol?
The InChIKey is XPRQHRLUGNZEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C2H6/c1-10-6-5-7-3-2-4-8(11)9(7)10;1-2/h7-9,11H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-7-ol?
ethane;1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-7-ol has a molecular weight of 185.31 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-7-ol is sourced from PubChem (CID 168995573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).