N-[1-(7-hydroxyisoquinolin-3-yl)ethenyl]formamide

C12H10N2O2 — CID 54211174

IUPACN-[1-(7-hydroxyisoquinolin-3-yl)ethenyl]formamide
SMILESC=C(NC=O)c1cc2ccc(O)cc2cn1
InChIInChI=1S/C12H10N2O2/c1-8(14-7-15)12-5-9-2-3-11(16)4-10(9)6-13-12/h2-7,16H,1H2,(H,14,15)
InChIKeyPWAVLIILZJWCBH-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.66
Rot. Bonds3

About N-[1-(7-hydroxyisoquinolin-3-yl)ethenyl]formamide

N-[1-(7-hydroxyisoquinolin-3-yl)ethenyl]formamide (PubChem CID 54211174) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is N-[1-(7-hydroxyisoquinolin-3-yl)ethenyl]formamide.

Molecular Properties

Compound NameN-[1-(7-hydroxyisoquinolin-3-yl)ethenyl]formamide
PubChem CID54211174
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC NameN-[1-(7-hydroxyisoquinolin-3-yl)ethenyl]formamide
SMILESC=C(NC=O)c1cc2ccc(O)cc2cn1
InChIInChI=1S/C12H10N2O2/c1-8(14-7-15)12-5-9-2-3-11(16)4-10(9)6-13-12/h2-7,16H,1H2,(H,14,15)
InChIKeyPWAVLIILZJWCBH-UHFFFAOYSA-N
XLogP1.66
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(7-hydroxyisoquinolin-3-yl)ethenyl]formamide?
The IUPAC name of N-[1-(7-hydroxyisoquinolin-3-yl)ethenyl]formamide (CID 54211174) is N-[1-(7-hydroxyisoquinolin-3-yl)ethenyl]formamide.
What is the SMILES notation for N-[1-(7-hydroxyisoquinolin-3-yl)ethenyl]formamide?
The canonical SMILES for N-[1-(7-hydroxyisoquinolin-3-yl)ethenyl]formamide is C=C(NC=O)c1cc2ccc(O)cc2cn1.
What is the InChIKey of N-[1-(7-hydroxyisoquinolin-3-yl)ethenyl]formamide?
The InChIKey is PWAVLIILZJWCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-8(14-7-15)12-5-9-2-3-11(16)4-10(9)6-13-12/h2-7,16H,1H2,(H,14,15).
What are the key properties of N-[1-(7-hydroxyisoquinolin-3-yl)ethenyl]formamide?
N-[1-(7-hydroxyisoquinolin-3-yl)ethenyl]formamide has a molecular weight of 214.22 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-hydroxyisoquinolin-3-yl)ethenyl]formamide is sourced from PubChem (CID 54211174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).