ethane;1-methyl-3,6,7,8-tetrahydrocyclopenta[e]indole

C14H19N — CID 145326202

IUPACethane;1-methyl-3,6,7,8-tetrahydrocyclopenta[e]indole
SMILESCC.Cc1c[nH]c2ccc3c(c12)CCC3
InChIInChI=1S/C12H13N.C2H6/c1-8-7-13-11-6-5-9-3-2-4-10(9)12(8)11;1-2/h5-7,13H,2-4H2,1H3;1-2H3
InChIKeyCOGPGTPNVPZZOU-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.99
Rot. Bonds

About ethane;1-methyl-3,6,7,8-tetrahydrocyclopenta[e]indole

ethane;1-methyl-3,6,7,8-tetrahydrocyclopenta[e]indole (PubChem CID 145326202) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is ethane;1-methyl-3,6,7,8-tetrahydrocyclopenta[e]indole.

Molecular Properties

Compound Nameethane;1-methyl-3,6,7,8-tetrahydrocyclopenta[e]indole
PubChem CID145326202
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Nameethane;1-methyl-3,6,7,8-tetrahydrocyclopenta[e]indole
SMILESCC.Cc1c[nH]c2ccc3c(c12)CCC3
InChIInChI=1S/C12H13N.C2H6/c1-8-7-13-11-6-5-9-3-2-4-10(9)12(8)11;1-2/h5-7,13H,2-4H2,1H3;1-2H3
InChIKeyCOGPGTPNVPZZOU-UHFFFAOYSA-N
XLogP3.99
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3,6,7,8-tetrahydrocyclopenta[e]indole?
The IUPAC name of ethane;1-methyl-3,6,7,8-tetrahydrocyclopenta[e]indole (CID 145326202) is ethane;1-methyl-3,6,7,8-tetrahydrocyclopenta[e]indole.
What is the SMILES notation for ethane;1-methyl-3,6,7,8-tetrahydrocyclopenta[e]indole?
The canonical SMILES for ethane;1-methyl-3,6,7,8-tetrahydrocyclopenta[e]indole is CC.Cc1c[nH]c2ccc3c(c12)CCC3.
What is the InChIKey of ethane;1-methyl-3,6,7,8-tetrahydrocyclopenta[e]indole?
The InChIKey is COGPGTPNVPZZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.C2H6/c1-8-7-13-11-6-5-9-3-2-4-10(9)12(8)11;1-2/h5-7,13H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-3,6,7,8-tetrahydrocyclopenta[e]indole?
ethane;1-methyl-3,6,7,8-tetrahydrocyclopenta[e]indole has a molecular weight of 201.31 g/mol, XLogP of 3.99, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3,6,7,8-tetrahydrocyclopenta[e]indole is sourced from PubChem (CID 145326202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).