1-amino-10b-ethyl-2-prop-1-en-2-ylpyrrolo[2,1-a]isoquinolin-3-one

C17H18N2O — CID 10084282

IUPAC1-amino-10b-ethyl-2-prop-1-en-2-ylpyrrolo[2,1-a]isoquinolin-3-one
SMILESC=C(C)C1=C(N)C2(CC)c3ccccc3C=CN2C1=O
InChIInChI=1S/C17H18N2O/c1-4-17-13-8-6-5-7-12(13)9-10-19(17)16(20)14(11(2)3)15(17)18/h5-10H,2,4,18H2,1,3H3
InChIKeySBCIIPVULGPJHY-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.91
Rot. Bonds2

About 1-amino-10b-ethyl-2-prop-1-en-2-ylpyrrolo[2,1-a]isoquinolin-3-one

1-amino-10b-ethyl-2-prop-1-en-2-ylpyrrolo[2,1-a]isoquinolin-3-one (PubChem CID 10084282) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-amino-10b-ethyl-2-prop-1-en-2-ylpyrrolo[2,1-a]isoquinolin-3-one.

Molecular Properties

Compound Name1-amino-10b-ethyl-2-prop-1-en-2-ylpyrrolo[2,1-a]isoquinolin-3-one
PubChem CID10084282
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-amino-10b-ethyl-2-prop-1-en-2-ylpyrrolo[2,1-a]isoquinolin-3-one
SMILESC=C(C)C1=C(N)C2(CC)c3ccccc3C=CN2C1=O
InChIInChI=1S/C17H18N2O/c1-4-17-13-8-6-5-7-12(13)9-10-19(17)16(20)14(11(2)3)15(17)18/h5-10H,2,4,18H2,1,3H3
InChIKeySBCIIPVULGPJHY-UHFFFAOYSA-N
XLogP2.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-10b-ethyl-2-prop-1-en-2-ylpyrrolo[2,1-a]isoquinolin-3-one?
The IUPAC name of 1-amino-10b-ethyl-2-prop-1-en-2-ylpyrrolo[2,1-a]isoquinolin-3-one (CID 10084282) is 1-amino-10b-ethyl-2-prop-1-en-2-ylpyrrolo[2,1-a]isoquinolin-3-one.
What is the SMILES notation for 1-amino-10b-ethyl-2-prop-1-en-2-ylpyrrolo[2,1-a]isoquinolin-3-one?
The canonical SMILES for 1-amino-10b-ethyl-2-prop-1-en-2-ylpyrrolo[2,1-a]isoquinolin-3-one is C=C(C)C1=C(N)C2(CC)c3ccccc3C=CN2C1=O.
What is the InChIKey of 1-amino-10b-ethyl-2-prop-1-en-2-ylpyrrolo[2,1-a]isoquinolin-3-one?
The InChIKey is SBCIIPVULGPJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-4-17-13-8-6-5-7-12(13)9-10-19(17)16(20)14(11(2)3)15(17)18/h5-10H,2,4,18H2,1,3H3.
What are the key properties of 1-amino-10b-ethyl-2-prop-1-en-2-ylpyrrolo[2,1-a]isoquinolin-3-one?
1-amino-10b-ethyl-2-prop-1-en-2-ylpyrrolo[2,1-a]isoquinolin-3-one has a molecular weight of 266.34 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-10b-ethyl-2-prop-1-en-2-ylpyrrolo[2,1-a]isoquinolin-3-one is sourced from PubChem (CID 10084282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).