[(1-phenylpyridazin-4-ylidene)amino] 2-methylprop-2-enoate

C14H13N3O2 — CID 150642203

IUPAC[(1-phenylpyridazin-4-ylidene)amino] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)ON=c1ccn(-c2ccccc2)nc1
InChIInChI=1S/C14H13N3O2/c1-11(2)14(18)19-16-12-8-9-17(15-10-12)13-6-4-3-5-7-13/h3-10H,1H2,2H3
InChIKeyJADMHEVLCWXUNG-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.81
Rot. Bonds3

About [(1-phenylpyridazin-4-ylidene)amino] 2-methylprop-2-enoate

[(1-phenylpyridazin-4-ylidene)amino] 2-methylprop-2-enoate (PubChem CID 150642203) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is [(1-phenylpyridazin-4-ylidene)amino] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[(1-phenylpyridazin-4-ylidene)amino] 2-methylprop-2-enoate
PubChem CID150642203
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name[(1-phenylpyridazin-4-ylidene)amino] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)ON=c1ccn(-c2ccccc2)nc1
InChIInChI=1S/C14H13N3O2/c1-11(2)14(18)19-16-12-8-9-17(15-10-12)13-6-4-3-5-7-13/h3-10H,1H2,2H3
InChIKeyJADMHEVLCWXUNG-UHFFFAOYSA-N
XLogP1.81
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-phenylpyridazin-4-ylidene)prop-2-enamide
CID 21246433
4-fluoro-N-(1-phenylpyridazin-4-ylidene)benzamide
CID 13206636
S-propan-2-yl N-(1-phenylpyridazin-4-ylidene)carbamothioate
CID 54008116
1-(1-phenylpyridazin-4-ylidene)-3-propylurea
CID 54236103
[(E)-but-2-enyl] N-(1-phenylpyridazin-4-ylidene)carbamate
CID 70392936
3-chloro-N-(1-phenylpyridazin-4-ylidene)benzamide
CID 13206639
[(E)-1-phenylethylideneamino] 2-methylprop-2-enoate
CID 14745058
1-(4-chlorophenyl)-3-(1-phenylpyridazin-4-ylidene)urea
CID 54424116
2-(2,5-dimethoxyphenyl)-N-(1-phenylpyridazin-4-ylidene)acetamide
CID 70482716
1-ethyl-3-(1-phenylpyridazin-4-ylidene)thiourea
CID 54405070
2,4-dichloro-N-(1-phenylpyridazin-4-ylidene)benzamide
CID 13206641
[(2R)-2-hydroxy-2-phenylacetyl] 2-methylprop-2-enoate
CID 88758596

Frequently Asked Questions

What is the IUPAC name of [(1-phenylpyridazin-4-ylidene)amino] 2-methylprop-2-enoate?
The IUPAC name of [(1-phenylpyridazin-4-ylidene)amino] 2-methylprop-2-enoate (CID 150642203) is [(1-phenylpyridazin-4-ylidene)amino] 2-methylprop-2-enoate.
What is the SMILES notation for [(1-phenylpyridazin-4-ylidene)amino] 2-methylprop-2-enoate?
The canonical SMILES for [(1-phenylpyridazin-4-ylidene)amino] 2-methylprop-2-enoate is C=C(C)C(=O)ON=c1ccn(-c2ccccc2)nc1.
What is the InChIKey of [(1-phenylpyridazin-4-ylidene)amino] 2-methylprop-2-enoate?
The InChIKey is JADMHEVLCWXUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-11(2)14(18)19-16-12-8-9-17(15-10-12)13-6-4-3-5-7-13/h3-10H,1H2,2H3.
What are the key properties of [(1-phenylpyridazin-4-ylidene)amino] 2-methylprop-2-enoate?
[(1-phenylpyridazin-4-ylidene)amino] 2-methylprop-2-enoate has a molecular weight of 255.28 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-phenylpyridazin-4-ylidene)amino] 2-methylprop-2-enoate is sourced from PubChem (CID 150642203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).