5-methyl-2,4a,4b,5,6,8a,9,9a-octahydro-1H-carbazole

C13H19N — CID 89394716

IUPAC5-methyl-2,4a,4b,5,6,8a,9,9a-octahydro-1H-carbazole
SMILESCC1CC=CC2NC3CCC=CC3C12
InChIInChI=1S/C13H19N/c1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12/h2,4,6,8-14H,3,5,7H2,1H3
InChIKeyGYEIPUFWWSWXGT-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.51
Rot. Bonds

About 5-methyl-2,4a,4b,5,6,8a,9,9a-octahydro-1H-carbazole

5-methyl-2,4a,4b,5,6,8a,9,9a-octahydro-1H-carbazole (PubChem CID 89394716) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 5-methyl-2,4a,4b,5,6,8a,9,9a-octahydro-1H-carbazole.

Molecular Properties

Compound Name5-methyl-2,4a,4b,5,6,8a,9,9a-octahydro-1H-carbazole
PubChem CID89394716
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name5-methyl-2,4a,4b,5,6,8a,9,9a-octahydro-1H-carbazole
SMILESCC1CC=CC2NC3CCC=CC3C12
InChIInChI=1S/C13H19N/c1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12/h2,4,6,8-14H,3,5,7H2,1H3
InChIKeyGYEIPUFWWSWXGT-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,4a,4b,5,6,8a,9,9a-octahydro-1H-carbazole?
The IUPAC name of 5-methyl-2,4a,4b,5,6,8a,9,9a-octahydro-1H-carbazole (CID 89394716) is 5-methyl-2,4a,4b,5,6,8a,9,9a-octahydro-1H-carbazole.
What is the SMILES notation for 5-methyl-2,4a,4b,5,6,8a,9,9a-octahydro-1H-carbazole?
The canonical SMILES for 5-methyl-2,4a,4b,5,6,8a,9,9a-octahydro-1H-carbazole is CC1CC=CC2NC3CCC=CC3C12.
What is the InChIKey of 5-methyl-2,4a,4b,5,6,8a,9,9a-octahydro-1H-carbazole?
The InChIKey is GYEIPUFWWSWXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12/h2,4,6,8-14H,3,5,7H2,1H3.
What are the key properties of 5-methyl-2,4a,4b,5,6,8a,9,9a-octahydro-1H-carbazole?
5-methyl-2,4a,4b,5,6,8a,9,9a-octahydro-1H-carbazole has a molecular weight of 189.30 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,4a,4b,5,6,8a,9,9a-octahydro-1H-carbazole is sourced from PubChem (CID 89394716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).