10-ethyl-4-fluoro-7-methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]indole

C15H20FN — CID 90910284

IUPAC10-ethyl-4-fluoro-7-methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]indole
SMILESCCc1c2n(c3c1=CCCC=3F)CC(C)CC2
InChIInChI=1S/C15H20FN/c1-3-11-12-5-4-6-13(16)15(12)17-9-10(2)7-8-14(11)17/h5,10H,3-4,6-9H2,1-2H3
InChIKeyCZTPKJNAFVYENG-UHFFFAOYSA-N
MW233.33 g/mol
LogP2.28
Rot. Bonds1

About 10-ethyl-4-fluoro-7-methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]indole

10-ethyl-4-fluoro-7-methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]indole (PubChem CID 90910284) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is 10-ethyl-4-fluoro-7-methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]indole.

Molecular Properties

Compound Name10-ethyl-4-fluoro-7-methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]indole
PubChem CID90910284
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name10-ethyl-4-fluoro-7-methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]indole
SMILESCCc1c2n(c3c1=CCCC=3F)CC(C)CC2
InChIInChI=1S/C15H20FN/c1-3-11-12-5-4-6-13(16)15(12)17-9-10(2)7-8-14(11)17/h5,10H,3-4,6-9H2,1-2H3
InChIKeyCZTPKJNAFVYENG-UHFFFAOYSA-N
XLogP2.28
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10-ethyl-4-fluoro-7-methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]indole?
The IUPAC name of 10-ethyl-4-fluoro-7-methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]indole (CID 90910284) is 10-ethyl-4-fluoro-7-methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]indole.
What is the SMILES notation for 10-ethyl-4-fluoro-7-methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]indole?
The canonical SMILES for 10-ethyl-4-fluoro-7-methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]indole is CCc1c2n(c3c1=CCCC=3F)CC(C)CC2.
What is the InChIKey of 10-ethyl-4-fluoro-7-methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]indole?
The InChIKey is CZTPKJNAFVYENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN/c1-3-11-12-5-4-6-13(16)15(12)17-9-10(2)7-8-14(11)17/h5,10H,3-4,6-9H2,1-2H3.
What are the key properties of 10-ethyl-4-fluoro-7-methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]indole?
10-ethyl-4-fluoro-7-methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]indole has a molecular weight of 233.33 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-4-fluoro-7-methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]indole is sourced from PubChem (CID 90910284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).