10-fluoro-N-methyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide

C14H17FN2O — CID 167535051

IUPAC10-fluoro-N-methyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide
SMILESCNC(=O)c1cc(F)c2c(c1)CCN1CCCC21
InChIInChI=1S/C14H17FN2O/c1-16-14(18)10-7-9-4-6-17-5-2-3-12(17)13(9)11(15)8-10/h7-8,12H,2-6H2,1H3,(H,16,18)
InChIKeyYTWYBROTRBBQPJ-UHFFFAOYSA-N
MW248.30 g/mol
LogP1.88
Rot. Bonds1

About 10-fluoro-N-methyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide

10-fluoro-N-methyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide (PubChem CID 167535051) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 10-fluoro-N-methyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide.

Molecular Properties

Compound Name10-fluoro-N-methyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide
PubChem CID167535051
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name10-fluoro-N-methyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide
SMILESCNC(=O)c1cc(F)c2c(c1)CCN1CCCC21
InChIInChI=1S/C14H17FN2O/c1-16-14(18)10-7-9-4-6-17-5-2-3-12(17)13(9)11(15)8-10/h7-8,12H,2-6H2,1H3,(H,16,18)
InChIKeyYTWYBROTRBBQPJ-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 10-fluoro-N-methyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-fluoro-N-methyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide?
The IUPAC name of 10-fluoro-N-methyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide (CID 167535051) is 10-fluoro-N-methyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide.
What is the SMILES notation for 10-fluoro-N-methyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide?
The canonical SMILES for 10-fluoro-N-methyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide is CNC(=O)c1cc(F)c2c(c1)CCN1CCCC21.
What is the InChIKey of 10-fluoro-N-methyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide?
The InChIKey is YTWYBROTRBBQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-16-14(18)10-7-9-4-6-17-5-2-3-12(17)13(9)11(15)8-10/h7-8,12H,2-6H2,1H3,(H,16,18).
What are the key properties of 10-fluoro-N-methyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide?
10-fluoro-N-methyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide has a molecular weight of 248.30 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-N-methyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide is sourced from PubChem (CID 167535051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).