5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide

C13H12N2O — CID 66925518

IUPAC5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide
SMILESNC(=O)c1ccc2n1CCc1ccccc1-2
InChIInChI=1S/C13H12N2O/c14-13(16)12-6-5-11-10-4-2-1-3-9(10)7-8-15(11)12/h1-6H,7-8H2,(H2,14,16)
InChIKeyCNOYRARYOGJURZ-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.81
Rot. Bonds1

About 5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide

5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide (PubChem CID 66925518) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide.

Molecular Properties

Compound Name5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide
PubChem CID66925518
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide
SMILESNC(=O)c1ccc2n1CCc1ccccc1-2
InChIInChI=1S/C13H12N2O/c14-13(16)12-6-5-11-10-4-2-1-3-9(10)7-8-15(11)12/h1-6H,7-8H2,(H2,14,16)
InChIKeyCNOYRARYOGJURZ-UHFFFAOYSA-N
XLogP1.81
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide?
The IUPAC name of 5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide (CID 66925518) is 5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide.
What is the SMILES notation for 5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide?
The canonical SMILES for 5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide is NC(=O)c1ccc2n1CCc1ccccc1-2.
What is the InChIKey of 5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide?
The InChIKey is CNOYRARYOGJURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c14-13(16)12-6-5-11-10-4-2-1-3-9(10)7-8-15(11)12/h1-6H,7-8H2,(H2,14,16).
What are the key properties of 5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide?
5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide has a molecular weight of 212.25 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide is sourced from PubChem (CID 66925518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).