9-methyl-1,2,3,4,4a,4b,5,9a-octahydrocarbazole

C13H19N — CID 70569226

IUPAC9-methyl-1,2,3,4,4a,4b,5,9a-octahydrocarbazole
SMILESCN1C2=CC=CCC2C2CCCCC21
InChIInChI=1S/C13H19N/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2,4,8,10-11,13H,3,5-7,9H2,1H3
InChIKeyXCEGFOBYMYFBNU-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.95
Rot. Bonds

About 9-methyl-1,2,3,4,4a,4b,5,9a-octahydrocarbazole

9-methyl-1,2,3,4,4a,4b,5,9a-octahydrocarbazole (PubChem CID 70569226) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 9-methyl-1,2,3,4,4a,4b,5,9a-octahydrocarbazole.

Molecular Properties

Compound Name9-methyl-1,2,3,4,4a,4b,5,9a-octahydrocarbazole
PubChem CID70569226
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name9-methyl-1,2,3,4,4a,4b,5,9a-octahydrocarbazole
SMILESCN1C2=CC=CCC2C2CCCCC21
InChIInChI=1S/C13H19N/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2,4,8,10-11,13H,3,5-7,9H2,1H3
InChIKeyXCEGFOBYMYFBNU-UHFFFAOYSA-N
XLogP2.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-1,2,3,4,4a,4b,5,9a-octahydrocarbazole?
The IUPAC name of 9-methyl-1,2,3,4,4a,4b,5,9a-octahydrocarbazole (CID 70569226) is 9-methyl-1,2,3,4,4a,4b,5,9a-octahydrocarbazole.
What is the SMILES notation for 9-methyl-1,2,3,4,4a,4b,5,9a-octahydrocarbazole?
The canonical SMILES for 9-methyl-1,2,3,4,4a,4b,5,9a-octahydrocarbazole is CN1C2=CC=CCC2C2CCCCC21.
What is the InChIKey of 9-methyl-1,2,3,4,4a,4b,5,9a-octahydrocarbazole?
The InChIKey is XCEGFOBYMYFBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2,4,8,10-11,13H,3,5-7,9H2,1H3.
What are the key properties of 9-methyl-1,2,3,4,4a,4b,5,9a-octahydrocarbazole?
9-methyl-1,2,3,4,4a,4b,5,9a-octahydrocarbazole has a molecular weight of 189.30 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1,2,3,4,4a,4b,5,9a-octahydrocarbazole is sourced from PubChem (CID 70569226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).