5-ethylcinnoline

C10H10N2 — CID 147224784

IUPAC5-ethylcinnoline
SMILESCCc1cccc2nnccc12
InChIInChI=1S/C10H10N2/c1-2-8-4-3-5-10-9(8)6-7-11-12-10/h3-7H,2H2,1H3
InChIKeyCHTOCDCAIVQPGW-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.19
Rot. Bonds1

About 5-ethylcinnoline

5-ethylcinnoline (PubChem CID 147224784) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 5-ethylcinnoline.

Molecular Properties

Compound Name5-ethylcinnoline
PubChem CID147224784
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name5-ethylcinnoline
SMILESCCc1cccc2nnccc12
InChIInChI=1S/C10H10N2/c1-2-8-4-3-5-10-9(8)6-7-11-12-10/h3-7H,2H2,1H3
InChIKeyCHTOCDCAIVQPGW-UHFFFAOYSA-N
XLogP2.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethylcinnoline?
The IUPAC name of 5-ethylcinnoline (CID 147224784) is 5-ethylcinnoline.
What is the SMILES notation for 5-ethylcinnoline?
The canonical SMILES for 5-ethylcinnoline is CCc1cccc2nnccc12.
What is the InChIKey of 5-ethylcinnoline?
The InChIKey is CHTOCDCAIVQPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-2-8-4-3-5-10-9(8)6-7-11-12-10/h3-7H,2H2,1H3.
What are the key properties of 5-ethylcinnoline?
5-ethylcinnoline has a molecular weight of 158.20 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylcinnoline is sourced from PubChem (CID 147224784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).