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

C20H21FN2 — CID 46224918

IUPAC8-fluoro-2-methyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
SMILESCN1CCC2C(C1)c1cc(F)ccc1N2/C=C/c1ccccc1
InChIInChI=1S/C20H21FN2/c1-22-11-10-20-18(14-22)17-13-16(21)7-8-19(17)23(20)12-9-15-5-3-2-4-6-15/h2-9,12-13,18,20H,10-11,14H2,1H3/b12-9+
InChIKeyYAXXEHSATLOCBK-FMIVXFBMSA-N
MW308.40 g/mol
LogP4.10
Rot. Bonds2

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

8-fluoro-2-methyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole (PubChem CID 46224918) has the molecular formula C20H21FN2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 8-fluoro-2-methyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-fluoro-2-methyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
PubChem CID46224918
Molecular FormulaC20H21FN2
Molecular Weight308.40 g/mol
Exact Mass308.17
IUPAC Name8-fluoro-2-methyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
SMILESCN1CCC2C(C1)c1cc(F)ccc1N2/C=C/c1ccccc1
InChIInChI=1S/C20H21FN2/c1-22-11-10-20-18(14-22)17-13-16(21)7-8-19(17)23(20)12-9-15-5-3-2-4-6-15/h2-9,12-13,18,20H,10-11,14H2,1H3/b12-9+
InChIKeyYAXXEHSATLOCBK-FMIVXFBMSA-N
XLogP4.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 8-fluoro-2-methyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole (CID 46224918) is 8-fluoro-2-methyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 8-fluoro-2-methyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 8-fluoro-2-methyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole is CN1CCC2C(C1)c1cc(F)ccc1N2/C=C/c1ccccc1.
What is the InChIKey of 8-fluoro-2-methyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole?
The InChIKey is YAXXEHSATLOCBK-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H21FN2/c1-22-11-10-20-18(14-22)17-13-16(21)7-8-19(17)23(20)12-9-15-5-3-2-4-6-15/h2-9,12-13,18,20H,10-11,14H2,1H3/b12-9+.
What are the key properties of 8-fluoro-2-methyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole?
8-fluoro-2-methyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole has a molecular weight of 308.40 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 46224918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).