9-(4-methylcyclohexa-1,5-dien-1-yl)-1,2,4b,5-tetrahydropyrido[2,3-b]indole

C18H20N2 — CID 118200030

IUPAC9-(4-methylcyclohexa-1,5-dien-1-yl)-1,2,4b,5-tetrahydropyrido[2,3-b]indole
SMILESCC1C=CC(N2C3=CC=CCC3C3=C2NCC=C3)=CC1
InChIInChI=1S/C18H20N2/c1-13-8-10-14(11-9-13)20-17-7-3-2-5-15(17)16-6-4-12-19-18(16)20/h2-4,6-8,10-11,13,15,19H,5,9,12H2,1H3
InChIKeyDKYDUHHUIOZFOE-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.61
Rot. Bonds1

About 9-(4-methylcyclohexa-1,5-dien-1-yl)-1,2,4b,5-tetrahydropyrido[2,3-b]indole

9-(4-methylcyclohexa-1,5-dien-1-yl)-1,2,4b,5-tetrahydropyrido[2,3-b]indole (PubChem CID 118200030) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 9-(4-methylcyclohexa-1,5-dien-1-yl)-1,2,4b,5-tetrahydropyrido[2,3-b]indole.

Molecular Properties

Compound Name9-(4-methylcyclohexa-1,5-dien-1-yl)-1,2,4b,5-tetrahydropyrido[2,3-b]indole
PubChem CID118200030
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name9-(4-methylcyclohexa-1,5-dien-1-yl)-1,2,4b,5-tetrahydropyrido[2,3-b]indole
SMILESCC1C=CC(N2C3=CC=CCC3C3=C2NCC=C3)=CC1
InChIInChI=1S/C18H20N2/c1-13-8-10-14(11-9-13)20-17-7-3-2-5-15(17)16-6-4-12-19-18(16)20/h2-4,6-8,10-11,13,15,19H,5,9,12H2,1H3
InChIKeyDKYDUHHUIOZFOE-UHFFFAOYSA-N
XLogP3.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-(4-methylcyclohexa-1,5-dien-1-yl)-1,2,4b,5-tetrahydropyrido[2,3-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(4-methylcyclohexa-1,5-dien-1-yl)-1,2,4b,5-tetrahydropyrido[2,3-b]indole?
The IUPAC name of 9-(4-methylcyclohexa-1,5-dien-1-yl)-1,2,4b,5-tetrahydropyrido[2,3-b]indole (CID 118200030) is 9-(4-methylcyclohexa-1,5-dien-1-yl)-1,2,4b,5-tetrahydropyrido[2,3-b]indole.
What is the SMILES notation for 9-(4-methylcyclohexa-1,5-dien-1-yl)-1,2,4b,5-tetrahydropyrido[2,3-b]indole?
The canonical SMILES for 9-(4-methylcyclohexa-1,5-dien-1-yl)-1,2,4b,5-tetrahydropyrido[2,3-b]indole is CC1C=CC(N2C3=CC=CCC3C3=C2NCC=C3)=CC1.
What is the InChIKey of 9-(4-methylcyclohexa-1,5-dien-1-yl)-1,2,4b,5-tetrahydropyrido[2,3-b]indole?
The InChIKey is DKYDUHHUIOZFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-13-8-10-14(11-9-13)20-17-7-3-2-5-15(17)16-6-4-12-19-18(16)20/h2-4,6-8,10-11,13,15,19H,5,9,12H2,1H3.
What are the key properties of 9-(4-methylcyclohexa-1,5-dien-1-yl)-1,2,4b,5-tetrahydropyrido[2,3-b]indole?
9-(4-methylcyclohexa-1,5-dien-1-yl)-1,2,4b,5-tetrahydropyrido[2,3-b]indole has a molecular weight of 264.37 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylcyclohexa-1,5-dien-1-yl)-1,2,4b,5-tetrahydropyrido[2,3-b]indole is sourced from PubChem (CID 118200030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).