ethane;7-(3-methyl-1H-indol-5-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol

C21H34N2O — CID 91314035

IUPACethane;7-(3-methyl-1H-indol-5-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
SMILESCC.CC.Cc1c[nH]c2ccc(C3(O)CCN4CCCC4C3)cc12
InChIInChI=1S/C17H22N2O.2C2H6/c1-12-11-18-16-5-4-13(9-15(12)16)17(20)6-8-19-7-2-3-14(19)10-17;2*1-2/h4-5,9,11,14,18,20H,2-3,6-8,10H2,1H3;2*1-2H3
InChIKeyKBFBXZOHQFOTNA-UHFFFAOYSA-N
MW330.52 g/mol
LogP4.97
Rot. Bonds1

About ethane;7-(3-methyl-1H-indol-5-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol

ethane;7-(3-methyl-1H-indol-5-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol (PubChem CID 91314035) has the molecular formula C21H34N2O and a molecular weight of 330.52 g/mol. Its IUPAC name is ethane;7-(3-methyl-1H-indol-5-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol.

Molecular Properties

Compound Nameethane;7-(3-methyl-1H-indol-5-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
PubChem CID91314035
Molecular FormulaC21H34N2O
Molecular Weight330.52 g/mol
Exact Mass330.27
IUPAC Nameethane;7-(3-methyl-1H-indol-5-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
SMILESCC.CC.Cc1c[nH]c2ccc(C3(O)CCN4CCCC4C3)cc12
InChIInChI=1S/C17H22N2O.2C2H6/c1-12-11-18-16-5-4-13(9-15(12)16)17(20)6-8-19-7-2-3-14(19)10-17;2*1-2/h4-5,9,11,14,18,20H,2-3,6-8,10H2,1H3;2*1-2H3
InChIKeyKBFBXZOHQFOTNA-UHFFFAOYSA-N
XLogP4.97
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;7-(3-methyl-1H-indol-5-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol?
The IUPAC name of ethane;7-(3-methyl-1H-indol-5-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol (CID 91314035) is ethane;7-(3-methyl-1H-indol-5-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol.
What is the SMILES notation for ethane;7-(3-methyl-1H-indol-5-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol?
The canonical SMILES for ethane;7-(3-methyl-1H-indol-5-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol is CC.CC.Cc1c[nH]c2ccc(C3(O)CCN4CCCC4C3)cc12.
What is the InChIKey of ethane;7-(3-methyl-1H-indol-5-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol?
The InChIKey is KBFBXZOHQFOTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O.2C2H6/c1-12-11-18-16-5-4-13(9-15(12)16)17(20)6-8-19-7-2-3-14(19)10-17;2*1-2/h4-5,9,11,14,18,20H,2-3,6-8,10H2,1H3;2*1-2H3.
What are the key properties of ethane;7-(3-methyl-1H-indol-5-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol?
ethane;7-(3-methyl-1H-indol-5-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol has a molecular weight of 330.52 g/mol, XLogP of 4.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-(3-methyl-1H-indol-5-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol is sourced from PubChem (CID 91314035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).