cinnolin-8-ol;ethane

C10H12N2O — CID 136607752

IUPACcinnolin-8-ol;ethane
SMILESCC.Oc1cccc2ccnnc12
InChIInChI=1S/C8H6N2O.C2H6/c11-7-3-1-2-6-4-5-9-10-8(6)7;1-2/h1-5,11H;1-2H3
InChIKeyLASGCARKWLSYOG-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.36
Rot. Bonds

About cinnolin-8-ol;ethane

cinnolin-8-ol;ethane (PubChem CID 136607752) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is cinnolin-8-ol;ethane.

Molecular Properties

Compound Namecinnolin-8-ol;ethane
PubChem CID136607752
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Namecinnolin-8-ol;ethane
SMILESCC.Oc1cccc2ccnnc12
InChIInChI=1S/C8H6N2O.C2H6/c11-7-3-1-2-6-4-5-9-10-8(6)7;1-2/h1-5,11H;1-2H3
InChIKeyLASGCARKWLSYOG-UHFFFAOYSA-N
XLogP2.36
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl cinnoline-8-carboxylate
CID 133080920
methanol;quinolin-8-ol
CID 161490698
quinolin-8-ol;yttrium
CID 174635627
CID 54604144
CID 54604144
zinc quinolin-8-ol
CID 22057723
CID 6381061
CID 6381061
CID 87330016
CID 87330016
dimethyltin;bis(quinolin-8-ol)
CID 50910182
2-cinnolin-8-ylethanamine
CID 68501199
CID 174914731
CID 174914731
CID 66916636
CID 66916636
CID 6371660
CID 6371660

Frequently Asked Questions

What is the IUPAC name of cinnolin-8-ol;ethane?
The IUPAC name of cinnolin-8-ol;ethane (CID 136607752) is cinnolin-8-ol;ethane.
What is the SMILES notation for cinnolin-8-ol;ethane?
The canonical SMILES for cinnolin-8-ol;ethane is CC.Oc1cccc2ccnnc12.
What is the InChIKey of cinnolin-8-ol;ethane?
The InChIKey is LASGCARKWLSYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O.C2H6/c11-7-3-1-2-6-4-5-9-10-8(6)7;1-2/h1-5,11H;1-2H3.
What are the key properties of cinnolin-8-ol;ethane?
cinnolin-8-ol;ethane has a molecular weight of 176.22 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cinnolin-8-ol;ethane is sourced from PubChem (CID 136607752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).