6,6-dimethyl-1,4,5,7-tetrahydrocarbazole

C14H17N — CID 151018697

IUPAC6,6-dimethyl-1,4,5,7-tetrahydrocarbazole
SMILESCC1(C)CC=C2N=C3CC=CCC3=C2C1
InChIInChI=1S/C14H17N/c1-14(2)8-7-13-11(9-14)10-5-3-4-6-12(10)15-13/h3-4,7H,5-6,8-9H2,1-2H3
InChIKeyLXPYEEMRYVXLIH-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.79
Rot. Bonds

About 6,6-dimethyl-1,4,5,7-tetrahydrocarbazole

6,6-dimethyl-1,4,5,7-tetrahydrocarbazole (PubChem CID 151018697) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 6,6-dimethyl-1,4,5,7-tetrahydrocarbazole.

Molecular Properties

Compound Name6,6-dimethyl-1,4,5,7-tetrahydrocarbazole
PubChem CID151018697
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name6,6-dimethyl-1,4,5,7-tetrahydrocarbazole
SMILESCC1(C)CC=C2N=C3CC=CCC3=C2C1
InChIInChI=1S/C14H17N/c1-14(2)8-7-13-11(9-14)10-5-3-4-6-12(10)15-13/h3-4,7H,5-6,8-9H2,1-2H3
InChIKeyLXPYEEMRYVXLIH-UHFFFAOYSA-N
XLogP3.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.79
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1,4,5,7-tetrahydrocarbazole?
The IUPAC name of 6,6-dimethyl-1,4,5,7-tetrahydrocarbazole (CID 151018697) is 6,6-dimethyl-1,4,5,7-tetrahydrocarbazole.
What is the SMILES notation for 6,6-dimethyl-1,4,5,7-tetrahydrocarbazole?
The canonical SMILES for 6,6-dimethyl-1,4,5,7-tetrahydrocarbazole is CC1(C)CC=C2N=C3CC=CCC3=C2C1.
What is the InChIKey of 6,6-dimethyl-1,4,5,7-tetrahydrocarbazole?
The InChIKey is LXPYEEMRYVXLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-14(2)8-7-13-11(9-14)10-5-3-4-6-12(10)15-13/h3-4,7H,5-6,8-9H2,1-2H3.
What are the key properties of 6,6-dimethyl-1,4,5,7-tetrahydrocarbazole?
6,6-dimethyl-1,4,5,7-tetrahydrocarbazole has a molecular weight of 199.30 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1,4,5,7-tetrahydrocarbazole is sourced from PubChem (CID 151018697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).