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

C14H17FN2O — CID 164942013

IUPAC(10aS)-6-fluoro-N-methyl-1,2,3,5,10,10a-hexahydropyrrolo[1,2-b]isoquinoline-8-carboxamide
SMILESCNC(=O)c1cc(F)c2c(c1)C[C@@H]1CCCN1C2
InChIInChI=1S/C14H17FN2O/c1-16-14(18)10-5-9-6-11-3-2-4-17(11)8-12(9)13(15)7-10/h5,7,11H,2-4,6,8H2,1H3,(H,16,18)/t11-/m0/s1
InChIKeyNLSKTWCMRXZCAT-NSHDSACASA-N
MW248.30 g/mol
LogP1.71
Rot. Bonds1

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

(10aS)-6-fluoro-N-methyl-1,2,3,5,10,10a-hexahydropyrrolo[1,2-b]isoquinoline-8-carboxamide (PubChem CID 164942013) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is (10aS)-6-fluoro-N-methyl-1,2,3,5,10,10a-hexahydropyrrolo[1,2-b]isoquinoline-8-carboxamide.

Molecular Properties

Compound Name(10aS)-6-fluoro-N-methyl-1,2,3,5,10,10a-hexahydropyrrolo[1,2-b]isoquinoline-8-carboxamide
PubChem CID164942013
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name(10aS)-6-fluoro-N-methyl-1,2,3,5,10,10a-hexahydropyrrolo[1,2-b]isoquinoline-8-carboxamide
SMILESCNC(=O)c1cc(F)c2c(c1)C[C@@H]1CCCN1C2
InChIInChI=1S/C14H17FN2O/c1-16-14(18)10-5-9-6-11-3-2-4-17(11)8-12(9)13(15)7-10/h5,7,11H,2-4,6,8H2,1H3,(H,16,18)/t11-/m0/s1
InChIKeyNLSKTWCMRXZCAT-NSHDSACASA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (10aS)-6-fluoro-N-methyl-1,2,3,5,10,10a-hexahydropyrrolo[1,2-b]isoquinoline-8-carboxamide?
The IUPAC name of (10aS)-6-fluoro-N-methyl-1,2,3,5,10,10a-hexahydropyrrolo[1,2-b]isoquinoline-8-carboxamide (CID 164942013) is (10aS)-6-fluoro-N-methyl-1,2,3,5,10,10a-hexahydropyrrolo[1,2-b]isoquinoline-8-carboxamide.
What is the SMILES notation for (10aS)-6-fluoro-N-methyl-1,2,3,5,10,10a-hexahydropyrrolo[1,2-b]isoquinoline-8-carboxamide?
The canonical SMILES for (10aS)-6-fluoro-N-methyl-1,2,3,5,10,10a-hexahydropyrrolo[1,2-b]isoquinoline-8-carboxamide is CNC(=O)c1cc(F)c2c(c1)C[C@@H]1CCCN1C2.
What is the InChIKey of (10aS)-6-fluoro-N-methyl-1,2,3,5,10,10a-hexahydropyrrolo[1,2-b]isoquinoline-8-carboxamide?
The InChIKey is NLSKTWCMRXZCAT-NSHDSACASA-N. The full InChI is InChI=1S/C14H17FN2O/c1-16-14(18)10-5-9-6-11-3-2-4-17(11)8-12(9)13(15)7-10/h5,7,11H,2-4,6,8H2,1H3,(H,16,18)/t11-/m0/s1.
What are the key properties of (10aS)-6-fluoro-N-methyl-1,2,3,5,10,10a-hexahydropyrrolo[1,2-b]isoquinoline-8-carboxamide?
(10aS)-6-fluoro-N-methyl-1,2,3,5,10,10a-hexahydropyrrolo[1,2-b]isoquinoline-8-carboxamide has a molecular weight of 248.30 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10aS)-6-fluoro-N-methyl-1,2,3,5,10,10a-hexahydropyrrolo[1,2-b]isoquinoline-8-carboxamide is sourced from PubChem (CID 164942013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).