4a-methyl-3,4,9,9a-tetrahydrocarbazole

C13H15N — CID 163544373

IUPAC4a-methyl-3,4,9,9a-tetrahydrocarbazole
SMILESCC12CCC=CC1Nc1ccccc12
InChIInChI=1S/C13H15N/c1-13-9-5-4-8-12(13)14-11-7-3-2-6-10(11)13/h2-4,6-8,12,14H,5,9H2,1H3
InChIKeyFDTRDFXOYPHTKS-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.09
Rot. Bonds

About 4a-methyl-3,4,9,9a-tetrahydrocarbazole

4a-methyl-3,4,9,9a-tetrahydrocarbazole (PubChem CID 163544373) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 4a-methyl-3,4,9,9a-tetrahydrocarbazole.

Molecular Properties

Compound Name4a-methyl-3,4,9,9a-tetrahydrocarbazole
PubChem CID163544373
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name4a-methyl-3,4,9,9a-tetrahydrocarbazole
SMILESCC12CCC=CC1Nc1ccccc12
InChIInChI=1S/C13H15N/c1-13-9-5-4-8-12(13)14-11-7-3-2-6-10(11)13/h2-4,6-8,12,14H,5,9H2,1H3
InChIKeyFDTRDFXOYPHTKS-UHFFFAOYSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-methyl-12-oxa-8-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
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(8bS)-8b-[(8bR)-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
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Frequently Asked Questions

What is the IUPAC name of 4a-methyl-3,4,9,9a-tetrahydrocarbazole?
The IUPAC name of 4a-methyl-3,4,9,9a-tetrahydrocarbazole (CID 163544373) is 4a-methyl-3,4,9,9a-tetrahydrocarbazole.
What is the SMILES notation for 4a-methyl-3,4,9,9a-tetrahydrocarbazole?
The canonical SMILES for 4a-methyl-3,4,9,9a-tetrahydrocarbazole is CC12CCC=CC1Nc1ccccc12.
What is the InChIKey of 4a-methyl-3,4,9,9a-tetrahydrocarbazole?
The InChIKey is FDTRDFXOYPHTKS-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/h2-4,6-8,12,14H,5,9H2,1H3.
What are the key properties of 4a-methyl-3,4,9,9a-tetrahydrocarbazole?
4a-methyl-3,4,9,9a-tetrahydrocarbazole has a molecular weight of 185.27 g/mol, XLogP of 3.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-methyl-3,4,9,9a-tetrahydrocarbazole is sourced from PubChem (CID 163544373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).