1-ethenylisoquinolin-4-ol;formamide

C12H12N2O2 — CID 19892794

IUPAC1-ethenylisoquinolin-4-ol;formamide
SMILESC=Cc1ncc(O)c2ccccc12.NC=O
InChIInChI=1S/C11H9NO.CH3NO/c1-2-10-8-5-3-4-6-9(8)11(13)7-12-10;2-1-3/h2-7,13H,1H2;1H,(H2,2,3)
InChIKeyFXIZVDQXGWGBLB-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.68
Rot. Bonds1

About 1-ethenylisoquinolin-4-ol;formamide

1-ethenylisoquinolin-4-ol;formamide (PubChem CID 19892794) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-ethenylisoquinolin-4-ol;formamide.

Molecular Properties

Compound Name1-ethenylisoquinolin-4-ol;formamide
PubChem CID19892794
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name1-ethenylisoquinolin-4-ol;formamide
SMILESC=Cc1ncc(O)c2ccccc12.NC=O
InChIInChI=1S/C11H9NO.CH3NO/c1-2-10-8-5-3-4-6-9(8)11(13)7-12-10;2-1-3/h2-7,13H,1H2;1H,(H2,2,3)
InChIKeyFXIZVDQXGWGBLB-UHFFFAOYSA-N
XLogP1.68
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-Hydroxyquinoline
CID 1923
5-Methyl-8-hydroxyquinoline
CID 71208
3-Hydroxyquinoline
CID 11376
4-Isoquinolinol
CID 18750
5-(Hydroxymethyl)quinolin-8-ol
CID 675786
Jineol
CID 177338
4-Methyl-8-hydroxyquinoline
CID 345169
3-Methylquinolin-8-ol
CID 4332281
2-Phenyl-3-pyridinol
CID 18705
2-(Phenylmethyl)-3-pyridinol
CID 217155
1,6-Naphthyridin-8-ol
CID 23422154
1-Chloro-4-hydroxyisoquinoline
CID 4281882

Frequently Asked Questions

What is the IUPAC name of 1-ethenylisoquinolin-4-ol;formamide?
The IUPAC name of 1-ethenylisoquinolin-4-ol;formamide (CID 19892794) is 1-ethenylisoquinolin-4-ol;formamide.
What is the SMILES notation for 1-ethenylisoquinolin-4-ol;formamide?
The canonical SMILES for 1-ethenylisoquinolin-4-ol;formamide is C=Cc1ncc(O)c2ccccc12.NC=O.
What is the InChIKey of 1-ethenylisoquinolin-4-ol;formamide?
The InChIKey is FXIZVDQXGWGBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO.CH3NO/c1-2-10-8-5-3-4-6-9(8)11(13)7-12-10;2-1-3/h2-7,13H,1H2;1H,(H2,2,3).
What are the key properties of 1-ethenylisoquinolin-4-ol;formamide?
1-ethenylisoquinolin-4-ol;formamide has a molecular weight of 216.24 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylisoquinolin-4-ol;formamide is sourced from PubChem (CID 19892794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).