3-ethenylisoquinolin-7-ol;formamide

C12H12N2O2 — CID 19892800

IUPAC3-ethenylisoquinolin-7-ol;formamide
SMILESC=Cc1cc2ccc(O)cc2cn1.NC=O
InChIInChI=1S/C11H9NO.CH3NO/c1-2-10-5-8-3-4-11(13)6-9(8)7-12-10;2-1-3/h2-7,13H,1H2;1H,(H2,2,3)
InChIKeyOTUYIKBSBVLZBX-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.68
Rot. Bonds1

About 3-ethenylisoquinolin-7-ol;formamide

3-ethenylisoquinolin-7-ol;formamide (PubChem CID 19892800) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-ethenylisoquinolin-7-ol;formamide.

Molecular Properties

Compound Name3-ethenylisoquinolin-7-ol;formamide
PubChem CID19892800
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name3-ethenylisoquinolin-7-ol;formamide
SMILESC=Cc1cc2ccc(O)cc2cn1.NC=O
InChIInChI=1S/C11H9NO.CH3NO/c1-2-10-5-8-3-4-11(13)6-9(8)7-12-10;2-1-3/h2-7,13H,1H2;1H,(H2,2,3)
InChIKeyOTUYIKBSBVLZBX-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

4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
5-Methyl-8-hydroxyquinoline
CID 71208
Isoquinolin-5-ol
CID 30386
Papaveroline
CID 5459346
6-Hydroxyquinoline
CID 11374
5-(Hydroxymethyl)quinolin-8-ol
CID 675786
8-Hydroxyisoquinoline
CID 135441711
3-[5-(3-Hydroxyphenyl)pyridin-2-yl]phenol
CID 25093398
Phenol, p-[2-(4-quinolyl)vinyl]-
CID 741423
4-[2-(2-Pyridinyl)ethyl]phenol
CID 279650
7-Isoquinolinol
CID 459767
4-(Pyridin-2-ylmethyl)phenol
CID 603599

Frequently Asked Questions

What is the IUPAC name of 3-ethenylisoquinolin-7-ol;formamide?
The IUPAC name of 3-ethenylisoquinolin-7-ol;formamide (CID 19892800) is 3-ethenylisoquinolin-7-ol;formamide.
What is the SMILES notation for 3-ethenylisoquinolin-7-ol;formamide?
The canonical SMILES for 3-ethenylisoquinolin-7-ol;formamide is C=Cc1cc2ccc(O)cc2cn1.NC=O.
What is the InChIKey of 3-ethenylisoquinolin-7-ol;formamide?
The InChIKey is OTUYIKBSBVLZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO.CH3NO/c1-2-10-5-8-3-4-11(13)6-9(8)7-12-10;2-1-3/h2-7,13H,1H2;1H,(H2,2,3).
What are the key properties of 3-ethenylisoquinolin-7-ol;formamide?
3-ethenylisoquinolin-7-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 3-ethenylisoquinolin-7-ol;formamide is sourced from PubChem (CID 19892800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).