1-isocyano-2-methylquinolizin-4-one

C11H8N2O — CID 140746703

IUPAC1-isocyano-2-methylquinolizin-4-one
SMILES[C-]#[N+]c1c(C)cc(=O)n2ccccc12
InChIInChI=1S/C11H8N2O/c1-8-7-10(14)13-6-4-3-5-9(13)11(8)12-2/h3-7H,1H3
InChIKeyHCZWOWLUAVAJMT-UHFFFAOYSA-N
MW184.20 g/mol
LogP2.16
Rot. Bonds

About 1-isocyano-2-methylquinolizin-4-one

1-isocyano-2-methylquinolizin-4-one (PubChem CID 140746703) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 1-isocyano-2-methylquinolizin-4-one.

Molecular Properties

Compound Name1-isocyano-2-methylquinolizin-4-one
PubChem CID140746703
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name1-isocyano-2-methylquinolizin-4-one
SMILES[C-]#[N+]c1c(C)cc(=O)n2ccccc12
InChIInChI=1S/C11H8N2O/c1-8-7-10(14)13-6-4-3-5-9(13)11(8)12-2/h3-7H,1H3
InChIKeyHCZWOWLUAVAJMT-UHFFFAOYSA-N
XLogP2.16
TPSA25.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Ethyl-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 1504759
1-Allyl-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
CID 1485466
4,6-Dimethyl-2-oxo-1-propyl-1,2-dihydropyridine-3-carbonitrile
CID 4380373
2-methyl-4-oxo-4H-quinolizine-1-carbonitrile
CID 2426546
1-(Cyanomethyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 53243166
3-Cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinepropanenitrile
CID 57364615
N-methyl-2H-3-isoquinolone
CID 12435498
2-Ethylisoquinolin-3-one
CID 12435499
2,6-Dimethylisoquinolin-3-one
CID 12435501
1-ethyl-4,6-dimethyl-2(1H)-pyridone
CID 21538594
3-Methyl-2-(trifluoromethyl)quinolizin-4-one
CID 59284176
2-(Aminomethyl)-7-fluoro-3-methylquinolizin-4-one
CID 129262542

Frequently Asked Questions

What is the IUPAC name of 1-isocyano-2-methylquinolizin-4-one?
The IUPAC name of 1-isocyano-2-methylquinolizin-4-one (CID 140746703) is 1-isocyano-2-methylquinolizin-4-one.
What is the SMILES notation for 1-isocyano-2-methylquinolizin-4-one?
The canonical SMILES for 1-isocyano-2-methylquinolizin-4-one is [C-]#[N+]c1c(C)cc(=O)n2ccccc12.
What is the InChIKey of 1-isocyano-2-methylquinolizin-4-one?
The InChIKey is HCZWOWLUAVAJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c1-8-7-10(14)13-6-4-3-5-9(13)11(8)12-2/h3-7H,1H3.
What are the key properties of 1-isocyano-2-methylquinolizin-4-one?
1-isocyano-2-methylquinolizin-4-one has a molecular weight of 184.20 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isocyano-2-methylquinolizin-4-one is sourced from PubChem (CID 140746703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).