4a-methyl-1,2,3,4-tetrahydrocarbazole

C13H15N — CID 3292772

IUPAC4a-methyl-1,2,3,4-tetrahydrocarbazole
SMILESCC12CCCCC1=Nc1ccccc12
InChIInChI=1S/C13H15N/c1-13-9-5-4-8-12(13)14-11-7-3-2-6-10(11)13/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyQUAWBDFZLBLKCC-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.60
Rot. Bonds

About 4a-methyl-1,2,3,4-tetrahydrocarbazole

4a-methyl-1,2,3,4-tetrahydrocarbazole (PubChem CID 3292772) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 4a-methyl-1,2,3,4-tetrahydrocarbazole.

Molecular Properties

Compound Name4a-methyl-1,2,3,4-tetrahydrocarbazole
PubChem CID3292772
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name4a-methyl-1,2,3,4-tetrahydrocarbazole
SMILESCC12CCCCC1=Nc1ccccc12
InChIInChI=1S/C13H15N/c1-13-9-5-4-8-12(13)14-11-7-3-2-6-10(11)13/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyQUAWBDFZLBLKCC-UHFFFAOYSA-N
XLogP3.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4a-methyl-1,2,3,4-tetrahydrocarbazole?
The IUPAC name of 4a-methyl-1,2,3,4-tetrahydrocarbazole (CID 3292772) is 4a-methyl-1,2,3,4-tetrahydrocarbazole.
What is the SMILES notation for 4a-methyl-1,2,3,4-tetrahydrocarbazole?
The canonical SMILES for 4a-methyl-1,2,3,4-tetrahydrocarbazole is CC12CCCCC1=Nc1ccccc12.
What is the InChIKey of 4a-methyl-1,2,3,4-tetrahydrocarbazole?
The InChIKey is QUAWBDFZLBLKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-13-9-5-4-8-12(13)14-11-7-3-2-6-10(11)13/h2-3,6-7H,4-5,8-9H2,1H3.
What are the key properties of 4a-methyl-1,2,3,4-tetrahydrocarbazole?
4a-methyl-1,2,3,4-tetrahydrocarbazole has a molecular weight of 185.27 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-methyl-1,2,3,4-tetrahydrocarbazole is sourced from PubChem (CID 3292772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).