3,9-dimethyl-3,4,4b,5-tetrahydrocarbazole

C14H17N — CID 123190936

IUPAC3,9-dimethyl-3,4,4b,5-tetrahydrocarbazole
SMILESCC1C=CC2=C(C1)C1CC=CC=C1N2C
InChIInChI=1S/C14H17N/c1-10-7-8-14-12(9-10)11-5-3-4-6-13(11)15(14)2/h3-4,6-8,10-11H,5,9H2,1-2H3
InChIKeyOSHQXZOLOWAMGX-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.24
Rot. Bonds

About 3,9-dimethyl-3,4,4b,5-tetrahydrocarbazole

3,9-dimethyl-3,4,4b,5-tetrahydrocarbazole (PubChem CID 123190936) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 3,9-dimethyl-3,4,4b,5-tetrahydrocarbazole.

Molecular Properties

Compound Name3,9-dimethyl-3,4,4b,5-tetrahydrocarbazole
PubChem CID123190936
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name3,9-dimethyl-3,4,4b,5-tetrahydrocarbazole
SMILESCC1C=CC2=C(C1)C1CC=CC=C1N2C
InChIInChI=1S/C14H17N/c1-10-7-8-14-12(9-10)11-5-3-4-6-13(11)15(14)2/h3-4,6-8,10-11H,5,9H2,1-2H3
InChIKeyOSHQXZOLOWAMGX-UHFFFAOYSA-N
XLogP3.24
TPSA3.24 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 ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,9-dimethyl-3,4,4b,5-tetrahydrocarbazole?
The IUPAC name of 3,9-dimethyl-3,4,4b,5-tetrahydrocarbazole (CID 123190936) is 3,9-dimethyl-3,4,4b,5-tetrahydrocarbazole.
What is the SMILES notation for 3,9-dimethyl-3,4,4b,5-tetrahydrocarbazole?
The canonical SMILES for 3,9-dimethyl-3,4,4b,5-tetrahydrocarbazole is CC1C=CC2=C(C1)C1CC=CC=C1N2C.
What is the InChIKey of 3,9-dimethyl-3,4,4b,5-tetrahydrocarbazole?
The InChIKey is OSHQXZOLOWAMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-10-7-8-14-12(9-10)11-5-3-4-6-13(11)15(14)2/h3-4,6-8,10-11H,5,9H2,1-2H3.
What are the key properties of 3,9-dimethyl-3,4,4b,5-tetrahydrocarbazole?
3,9-dimethyl-3,4,4b,5-tetrahydrocarbazole has a molecular weight of 199.30 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethyl-3,4,4b,5-tetrahydrocarbazole is sourced from PubChem (CID 123190936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).