N-cinnolin-4-ylprop-2-enamide

C11H9N3O — CID 59502684

IUPACN-cinnolin-4-ylprop-2-enamide
SMILESC=CC(=O)Nc1cnnc2ccccc12
InChIInChI=1S/C11H9N3O/c1-2-11(15)13-10-7-12-14-9-6-4-3-5-8(9)10/h2-7H,1H2,(H,13,14,15)
InChIKeyPBTBCQGETDOIJW-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.75
Rot. Bonds2

About N-cinnolin-4-ylprop-2-enamide

N-cinnolin-4-ylprop-2-enamide (PubChem CID 59502684) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is N-cinnolin-4-ylprop-2-enamide.

Molecular Properties

Compound NameN-cinnolin-4-ylprop-2-enamide
PubChem CID59502684
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC NameN-cinnolin-4-ylprop-2-enamide
SMILESC=CC(=O)Nc1cnnc2ccccc12
InChIInChI=1S/C11H9N3O/c1-2-11(15)13-10-7-12-14-9-6-4-3-5-8(9)10/h2-7H,1H2,(H,13,14,15)
InChIKeyPBTBCQGETDOIJW-UHFFFAOYSA-N
XLogP1.75
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cinnolin-4-ylprop-2-enamide?
The IUPAC name of N-cinnolin-4-ylprop-2-enamide (CID 59502684) is N-cinnolin-4-ylprop-2-enamide.
What is the SMILES notation for N-cinnolin-4-ylprop-2-enamide?
The canonical SMILES for N-cinnolin-4-ylprop-2-enamide is C=CC(=O)Nc1cnnc2ccccc12.
What is the InChIKey of N-cinnolin-4-ylprop-2-enamide?
The InChIKey is PBTBCQGETDOIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c1-2-11(15)13-10-7-12-14-9-6-4-3-5-8(9)10/h2-7H,1H2,(H,13,14,15).
What are the key properties of N-cinnolin-4-ylprop-2-enamide?
N-cinnolin-4-ylprop-2-enamide has a molecular weight of 199.21 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cinnolin-4-ylprop-2-enamide is sourced from PubChem (CID 59502684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).