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

C13H18FN — CID 163702230

IUPAC8-fluoro-10-methyl-1,4,4a,6,7,8,9,10a-octahydropyrido[1,2-a]indole
SMILESCC1=C2CC(F)CCN2C2CC=CCC12
InChIInChI=1S/C13H18FN/c1-9-11-4-2-3-5-12(11)15-7-6-10(14)8-13(9)15/h2-3,10-12H,4-8H2,1H3
InChIKeyKCABAMMTFNFIOQ-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.04
Rot. Bonds

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

8-fluoro-10-methyl-1,4,4a,6,7,8,9,10a-octahydropyrido[1,2-a]indole (PubChem CID 163702230) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 8-fluoro-10-methyl-1,4,4a,6,7,8,9,10a-octahydropyrido[1,2-a]indole.

Molecular Properties

Compound Name8-fluoro-10-methyl-1,4,4a,6,7,8,9,10a-octahydropyrido[1,2-a]indole
PubChem CID163702230
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name8-fluoro-10-methyl-1,4,4a,6,7,8,9,10a-octahydropyrido[1,2-a]indole
SMILESCC1=C2CC(F)CCN2C2CC=CCC12
InChIInChI=1S/C13H18FN/c1-9-11-4-2-3-5-12(11)15-7-6-10(14)8-13(9)15/h2-3,10-12H,4-8H2,1H3
InChIKeyKCABAMMTFNFIOQ-UHFFFAOYSA-N
XLogP3.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-10-methyl-1,4,4a,6,7,8,9,10a-octahydropyrido[1,2-a]indole?
The IUPAC name of 8-fluoro-10-methyl-1,4,4a,6,7,8,9,10a-octahydropyrido[1,2-a]indole (CID 163702230) is 8-fluoro-10-methyl-1,4,4a,6,7,8,9,10a-octahydropyrido[1,2-a]indole.
What is the SMILES notation for 8-fluoro-10-methyl-1,4,4a,6,7,8,9,10a-octahydropyrido[1,2-a]indole?
The canonical SMILES for 8-fluoro-10-methyl-1,4,4a,6,7,8,9,10a-octahydropyrido[1,2-a]indole is CC1=C2CC(F)CCN2C2CC=CCC12.
What is the InChIKey of 8-fluoro-10-methyl-1,4,4a,6,7,8,9,10a-octahydropyrido[1,2-a]indole?
The InChIKey is KCABAMMTFNFIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-9-11-4-2-3-5-12(11)15-7-6-10(14)8-13(9)15/h2-3,10-12H,4-8H2,1H3.
What are the key properties of 8-fluoro-10-methyl-1,4,4a,6,7,8,9,10a-octahydropyrido[1,2-a]indole?
8-fluoro-10-methyl-1,4,4a,6,7,8,9,10a-octahydropyrido[1,2-a]indole has a molecular weight of 207.29 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-10-methyl-1,4,4a,6,7,8,9,10a-octahydropyrido[1,2-a]indole is sourced from PubChem (CID 163702230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).