1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-2-carboxamide

C13H14N2O — CID 89463950

IUPAC1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-2-carboxamide
SMILESNC(=O)C1CC2=c3ccccc3=CCN2C1
InChIInChI=1S/C13H14N2O/c14-13(16)10-7-12-11-4-2-1-3-9(11)5-6-15(12)8-10/h1-5,10H,6-8H2,(H2,14,16)
InChIKeyAPPABLKOPVHUAF-UHFFFAOYSA-N
MW214.27 g/mol
LogP-0.60
Rot. Bonds1

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

1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-2-carboxamide (PubChem CID 89463950) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-2-carboxamide.

Molecular Properties

Compound Name1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-2-carboxamide
PubChem CID89463950
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-2-carboxamide
SMILESNC(=O)C1CC2=c3ccccc3=CCN2C1
InChIInChI=1S/C13H14N2O/c14-13(16)10-7-12-11-4-2-1-3-9(11)5-6-15(12)8-10/h1-5,10H,6-8H2,(H2,14,16)
InChIKeyAPPABLKOPVHUAF-UHFFFAOYSA-N
XLogP-0.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-2-carboxamide?
The IUPAC name of 1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-2-carboxamide (CID 89463950) is 1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-2-carboxamide.
What is the SMILES notation for 1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-2-carboxamide?
The canonical SMILES for 1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-2-carboxamide is NC(=O)C1CC2=c3ccccc3=CCN2C1.
What is the InChIKey of 1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-2-carboxamide?
The InChIKey is APPABLKOPVHUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c14-13(16)10-7-12-11-4-2-1-3-9(11)5-6-15(12)8-10/h1-5,10H,6-8H2,(H2,14,16).
What are the key properties of 1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-2-carboxamide?
1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-2-carboxamide has a molecular weight of 214.27 g/mol, XLogP of -0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-2-carboxamide is sourced from PubChem (CID 89463950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).