2,8-dimethyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole

C21H24N2 — CID 46224880

IUPAC2,8-dimethyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)C1CN(C)CCC1N2/C=C/c1ccccc1
InChIInChI=1S/C21H24N2/c1-16-8-9-20-18(14-16)19-15-22(2)12-11-21(19)23(20)13-10-17-6-4-3-5-7-17/h3-10,13-14,19,21H,11-12,15H2,1-2H3/b13-10+
InChIKeyLBGASCXEDHLYEH-JLHYYAGUSA-N
MW304.44 g/mol
LogP4.27
Rot. Bonds2

About 2,8-dimethyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole

2,8-dimethyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole (PubChem CID 46224880) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2,8-dimethyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name2,8-dimethyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
PubChem CID46224880
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name2,8-dimethyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)C1CN(C)CCC1N2/C=C/c1ccccc1
InChIInChI=1S/C21H24N2/c1-16-8-9-20-18(14-16)19-15-22(2)12-11-21(19)23(20)13-10-17-6-4-3-5-7-17/h3-10,13-14,19,21H,11-12,15H2,1-2H3/b13-10+
InChIKeyLBGASCXEDHLYEH-JLHYYAGUSA-N
XLogP4.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,8-dimethyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole with MolForge

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Related Compounds

Dicarbine
CID 65684
Sdz ser-082
CID 9859407
2-(2,3-Dihydro-1H-indol-5-yl)-1-methyl-ethylamine
CID 13660281
2-(3,5-Dimethylphenyl)isoindoline
CID 613815
2,8-dimethyl-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indole dihydrochloride
CID 134973
Stobadine
CID 108089
1-(2,3-Dihydro-1H-indol-5-ylmethyl)-propylamine
CID 13660291
5,6-Dimethyl-2-phenylisoindoline
CID 2823735
5-(2-fluorophenyl)sulfonyl-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
CID 16304086
Tocris-1255
CID 6604841
1-(2,4-dimethylphenyl)-4-{[(1S,2S)-2-phenylcyclopropyl]methyl}piperazine
CID 9797161
1-(2,4-dimethylphenyl)-4-(((1R,2S)-2-phenylcyclopropyl)methyl)piperazine
CID 9901646

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 2,8-dimethyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole (CID 46224880) is 2,8-dimethyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 2,8-dimethyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 2,8-dimethyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole is Cc1ccc2c(c1)C1CN(C)CCC1N2/C=C/c1ccccc1.
What is the InChIKey of 2,8-dimethyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole?
The InChIKey is LBGASCXEDHLYEH-JLHYYAGUSA-N. The full InChI is InChI=1S/C21H24N2/c1-16-8-9-20-18(14-16)19-15-22(2)12-11-21(19)23(20)13-10-17-6-4-3-5-7-17/h3-10,13-14,19,21H,11-12,15H2,1-2H3/b13-10+.
What are the key properties of 2,8-dimethyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole?
2,8-dimethyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole has a molecular weight of 304.44 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 46224880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).