2-amino-1-(5,6-dihydropyrrolo[2,1-a]isoquinolin-3-yl)ethanone

C14H14N2O — CID 67429784

IUPAC2-amino-1-(5,6-dihydropyrrolo[2,1-a]isoquinolin-3-yl)ethanone
SMILESNCC(=O)c1ccc2n1CCc1ccccc1-2
InChIInChI=1S/C14H14N2O/c15-9-14(17)13-6-5-12-11-4-2-1-3-10(11)7-8-16(12)13/h1-6H,7-9,15H2
InChIKeyYFPKPVBZZSFDRL-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.85
Rot. Bonds2

About 2-amino-1-(5,6-dihydropyrrolo[2,1-a]isoquinolin-3-yl)ethanone

2-amino-1-(5,6-dihydropyrrolo[2,1-a]isoquinolin-3-yl)ethanone (PubChem CID 67429784) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-amino-1-(5,6-dihydropyrrolo[2,1-a]isoquinolin-3-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(5,6-dihydropyrrolo[2,1-a]isoquinolin-3-yl)ethanone
PubChem CID67429784
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name2-amino-1-(5,6-dihydropyrrolo[2,1-a]isoquinolin-3-yl)ethanone
SMILESNCC(=O)c1ccc2n1CCc1ccccc1-2
InChIInChI=1S/C14H14N2O/c15-9-14(17)13-6-5-12-11-4-2-1-3-10(11)7-8-16(12)13/h1-6H,7-9,15H2
InChIKeyYFPKPVBZZSFDRL-UHFFFAOYSA-N
XLogP1.85
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5,6-dihydropyrrolo[2,1-a]isoquinolin-3-yl)ethanone?
The IUPAC name of 2-amino-1-(5,6-dihydropyrrolo[2,1-a]isoquinolin-3-yl)ethanone (CID 67429784) is 2-amino-1-(5,6-dihydropyrrolo[2,1-a]isoquinolin-3-yl)ethanone.
What is the SMILES notation for 2-amino-1-(5,6-dihydropyrrolo[2,1-a]isoquinolin-3-yl)ethanone?
The canonical SMILES for 2-amino-1-(5,6-dihydropyrrolo[2,1-a]isoquinolin-3-yl)ethanone is NCC(=O)c1ccc2n1CCc1ccccc1-2.
What is the InChIKey of 2-amino-1-(5,6-dihydropyrrolo[2,1-a]isoquinolin-3-yl)ethanone?
The InChIKey is YFPKPVBZZSFDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c15-9-14(17)13-6-5-12-11-4-2-1-3-10(11)7-8-16(12)13/h1-6H,7-9,15H2.
What are the key properties of 2-amino-1-(5,6-dihydropyrrolo[2,1-a]isoquinolin-3-yl)ethanone?
2-amino-1-(5,6-dihydropyrrolo[2,1-a]isoquinolin-3-yl)ethanone has a molecular weight of 226.28 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5,6-dihydropyrrolo[2,1-a]isoquinolin-3-yl)ethanone is sourced from PubChem (CID 67429784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).