N-cinnolin-4-yl-2-methylprop-2-enamide

C12H11N3O — CID 59502677

IUPACN-cinnolin-4-yl-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1cnnc2ccccc12
InChIInChI=1S/C12H11N3O/c1-8(2)12(16)14-11-7-13-15-10-6-4-3-5-9(10)11/h3-7H,1H2,2H3,(H,14,15,16)
InChIKeyGITZFEBCJLAWFA-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.14
Rot. Bonds2

About N-cinnolin-4-yl-2-methylprop-2-enamide

N-cinnolin-4-yl-2-methylprop-2-enamide (PubChem CID 59502677) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is N-cinnolin-4-yl-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-cinnolin-4-yl-2-methylprop-2-enamide
PubChem CID59502677
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC NameN-cinnolin-4-yl-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1cnnc2ccccc12
InChIInChI=1S/C12H11N3O/c1-8(2)12(16)14-11-7-13-15-10-6-4-3-5-9(10)11/h3-7H,1H2,2H3,(H,14,15,16)
InChIKeyGITZFEBCJLAWFA-UHFFFAOYSA-N
XLogP2.14
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cinnolin-4-yl-2-methylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 12027113
CID 12027113
CID 6412705
CID 6412705
CID 156907120
CID 156907120
CID 19032664
CID 19032664
CID 14220994
CID 14220994
CID 11483405
CID 11483405
CID 11593771
CID 11593771
CID 18186435
CID 18186435
CID 21188912
CID 21188912
CID 21991071
CID 21991071
CID 129705738
CID 129705738
CID 68003608
CID 68003608

Frequently Asked Questions

What is the IUPAC name of N-cinnolin-4-yl-2-methylprop-2-enamide?
The IUPAC name of N-cinnolin-4-yl-2-methylprop-2-enamide (CID 59502677) is N-cinnolin-4-yl-2-methylprop-2-enamide.
What is the SMILES notation for N-cinnolin-4-yl-2-methylprop-2-enamide?
The canonical SMILES for N-cinnolin-4-yl-2-methylprop-2-enamide is C=C(C)C(=O)Nc1cnnc2ccccc12.
What is the InChIKey of N-cinnolin-4-yl-2-methylprop-2-enamide?
The InChIKey is GITZFEBCJLAWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-8(2)12(16)14-11-7-13-15-10-6-4-3-5-9(10)11/h3-7H,1H2,2H3,(H,14,15,16).
What are the key properties of N-cinnolin-4-yl-2-methylprop-2-enamide?
N-cinnolin-4-yl-2-methylprop-2-enamide has a molecular weight of 213.24 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cinnolin-4-yl-2-methylprop-2-enamide is sourced from PubChem (CID 59502677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).