4a-methyl-1,2,4b,5,6,8a,9,9a-octahydrocarbazole

C13H19N — CID 89395447

IUPAC4a-methyl-1,2,4b,5,6,8a,9,9a-octahydrocarbazole
SMILESCC12C=CCCC1NC1C=CCCC12
InChIInChI=1S/C13H19N/c1-13-9-5-4-8-12(13)14-11-7-3-2-6-10(11)13/h3,5,7,9-12,14H,2,4,6,8H2,1H3
InChIKeyKMPQMMPMCPMZNO-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.65
Rot. Bonds

About 4a-methyl-1,2,4b,5,6,8a,9,9a-octahydrocarbazole

4a-methyl-1,2,4b,5,6,8a,9,9a-octahydrocarbazole (PubChem CID 89395447) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 4a-methyl-1,2,4b,5,6,8a,9,9a-octahydrocarbazole.

Molecular Properties

Compound Name4a-methyl-1,2,4b,5,6,8a,9,9a-octahydrocarbazole
PubChem CID89395447
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name4a-methyl-1,2,4b,5,6,8a,9,9a-octahydrocarbazole
SMILESCC12C=CCCC1NC1C=CCCC12
InChIInChI=1S/C13H19N/c1-13-9-5-4-8-12(13)14-11-7-3-2-6-10(11)13/h3,5,7,9-12,14H,2,4,6,8H2,1H3
InChIKeyKMPQMMPMCPMZNO-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
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 4a-methyl-1,2,4b,5,6,8a,9,9a-octahydrocarbazole?
The IUPAC name of 4a-methyl-1,2,4b,5,6,8a,9,9a-octahydrocarbazole (CID 89395447) is 4a-methyl-1,2,4b,5,6,8a,9,9a-octahydrocarbazole.
What is the SMILES notation for 4a-methyl-1,2,4b,5,6,8a,9,9a-octahydrocarbazole?
The canonical SMILES for 4a-methyl-1,2,4b,5,6,8a,9,9a-octahydrocarbazole is CC12C=CCCC1NC1C=CCCC12.
What is the InChIKey of 4a-methyl-1,2,4b,5,6,8a,9,9a-octahydrocarbazole?
The InChIKey is KMPQMMPMCPMZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-13-9-5-4-8-12(13)14-11-7-3-2-6-10(11)13/h3,5,7,9-12,14H,2,4,6,8H2,1H3.
What are the key properties of 4a-methyl-1,2,4b,5,6,8a,9,9a-octahydrocarbazole?
4a-methyl-1,2,4b,5,6,8a,9,9a-octahydrocarbazole has a molecular weight of 189.30 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-methyl-1,2,4b,5,6,8a,9,9a-octahydrocarbazole is sourced from PubChem (CID 89395447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).