6-amino-1,1-dimethyl-2,4-dihydroisoquinolin-3-one

C11H14N2O — CID 91658654

IUPAC6-amino-1,1-dimethyl-2,4-dihydroisoquinolin-3-one
SMILESCC1(C)NC(=O)Cc2cc(N)ccc21
InChIInChI=1S/C11H14N2O/c1-11(2)9-4-3-8(12)5-7(9)6-10(14)13-11/h3-5H,6,12H2,1-2H3,(H,13,14)
InChIKeyWWEUEGWWTRLVLQ-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.18
Rot. Bonds

About 6-amino-1,1-dimethyl-2,4-dihydroisoquinolin-3-one

6-amino-1,1-dimethyl-2,4-dihydroisoquinolin-3-one (PubChem CID 91658654) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 6-amino-1,1-dimethyl-2,4-dihydroisoquinolin-3-one.

Molecular Properties

Compound Name6-amino-1,1-dimethyl-2,4-dihydroisoquinolin-3-one
PubChem CID91658654
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name6-amino-1,1-dimethyl-2,4-dihydroisoquinolin-3-one
SMILESCC1(C)NC(=O)Cc2cc(N)ccc21
InChIInChI=1S/C11H14N2O/c1-11(2)9-4-3-8(12)5-7(9)6-10(14)13-11/h3-5H,6,12H2,1-2H3,(H,13,14)
InChIKeyWWEUEGWWTRLVLQ-UHFFFAOYSA-N
XLogP1.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1,1-dimethyl-2,4-dihydroisoquinolin-3-one?
The IUPAC name of 6-amino-1,1-dimethyl-2,4-dihydroisoquinolin-3-one (CID 91658654) is 6-amino-1,1-dimethyl-2,4-dihydroisoquinolin-3-one.
What is the SMILES notation for 6-amino-1,1-dimethyl-2,4-dihydroisoquinolin-3-one?
The canonical SMILES for 6-amino-1,1-dimethyl-2,4-dihydroisoquinolin-3-one is CC1(C)NC(=O)Cc2cc(N)ccc21.
What is the InChIKey of 6-amino-1,1-dimethyl-2,4-dihydroisoquinolin-3-one?
The InChIKey is WWEUEGWWTRLVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-11(2)9-4-3-8(12)5-7(9)6-10(14)13-11/h3-5H,6,12H2,1-2H3,(H,13,14).
What are the key properties of 6-amino-1,1-dimethyl-2,4-dihydroisoquinolin-3-one?
6-amino-1,1-dimethyl-2,4-dihydroisoquinolin-3-one has a molecular weight of 190.25 g/mol, XLogP of 1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,1-dimethyl-2,4-dihydroisoquinolin-3-one is sourced from PubChem (CID 91658654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).