1-amino-10b-propan-2-ylpyrrolo[2,1-a]isoquinolin-3-one

C15H16N2O — CID 14379872

IUPAC1-amino-10b-propan-2-ylpyrrolo[2,1-a]isoquinolin-3-one
SMILESCC(C)C12C(N)=CC(=O)N1C=Cc1ccccc12
InChIInChI=1S/C15H16N2O/c1-10(2)15-12-6-4-3-5-11(12)7-8-17(15)14(18)9-13(15)16/h3-10H,16H2,1-2H3
InChIKeyZONJBAVYYVGHHH-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.21
Rot. Bonds1

About 1-amino-10b-propan-2-ylpyrrolo[2,1-a]isoquinolin-3-one

1-amino-10b-propan-2-ylpyrrolo[2,1-a]isoquinolin-3-one (PubChem CID 14379872) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-amino-10b-propan-2-ylpyrrolo[2,1-a]isoquinolin-3-one.

Molecular Properties

Compound Name1-amino-10b-propan-2-ylpyrrolo[2,1-a]isoquinolin-3-one
PubChem CID14379872
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1-amino-10b-propan-2-ylpyrrolo[2,1-a]isoquinolin-3-one
SMILESCC(C)C12C(N)=CC(=O)N1C=Cc1ccccc12
InChIInChI=1S/C15H16N2O/c1-10(2)15-12-6-4-3-5-11(12)7-8-17(15)14(18)9-13(15)16/h3-10H,16H2,1-2H3
InChIKeyZONJBAVYYVGHHH-UHFFFAOYSA-N
XLogP2.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-10b-propan-2-ylpyrrolo[2,1-a]isoquinolin-3-one?
The IUPAC name of 1-amino-10b-propan-2-ylpyrrolo[2,1-a]isoquinolin-3-one (CID 14379872) is 1-amino-10b-propan-2-ylpyrrolo[2,1-a]isoquinolin-3-one.
What is the SMILES notation for 1-amino-10b-propan-2-ylpyrrolo[2,1-a]isoquinolin-3-one?
The canonical SMILES for 1-amino-10b-propan-2-ylpyrrolo[2,1-a]isoquinolin-3-one is CC(C)C12C(N)=CC(=O)N1C=Cc1ccccc12.
What is the InChIKey of 1-amino-10b-propan-2-ylpyrrolo[2,1-a]isoquinolin-3-one?
The InChIKey is ZONJBAVYYVGHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-10(2)15-12-6-4-3-5-11(12)7-8-17(15)14(18)9-13(15)16/h3-10H,16H2,1-2H3.
What are the key properties of 1-amino-10b-propan-2-ylpyrrolo[2,1-a]isoquinolin-3-one?
1-amino-10b-propan-2-ylpyrrolo[2,1-a]isoquinolin-3-one has a molecular weight of 240.31 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-10b-propan-2-ylpyrrolo[2,1-a]isoquinolin-3-one is sourced from PubChem (CID 14379872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).