ethyl 2-(2-acetylhydrazinyl)-5-phenyl-1H-pyrrole-3-carboxylate

C15H17N3O3 — CID 14144334

IUPACethyl 2-(2-acetylhydrazinyl)-5-phenyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)[nH]c1NNC(C)=O
InChIInChI=1S/C15H17N3O3/c1-3-21-15(20)12-9-13(11-7-5-4-6-8-11)16-14(12)18-17-10(2)19/h4-9,16,18H,3H2,1-2H3,(H,17,19)
InChIKeyIOWDOMGELQJJBH-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.32
Rot. Bonds5

About ethyl 2-(2-acetylhydrazinyl)-5-phenyl-1H-pyrrole-3-carboxylate

ethyl 2-(2-acetylhydrazinyl)-5-phenyl-1H-pyrrole-3-carboxylate (PubChem CID 14144334) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is ethyl 2-(2-acetylhydrazinyl)-5-phenyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-acetylhydrazinyl)-5-phenyl-1H-pyrrole-3-carboxylate
PubChem CID14144334
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Nameethyl 2-(2-acetylhydrazinyl)-5-phenyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)[nH]c1NNC(C)=O
InChIInChI=1S/C15H17N3O3/c1-3-21-15(20)12-9-13(11-7-5-4-6-8-11)16-14(12)18-17-10(2)19/h4-9,16,18H,3H2,1-2H3,(H,17,19)
InChIKeyIOWDOMGELQJJBH-UHFFFAOYSA-N
XLogP2.32
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-amino-1H-indole-3-carboxylate
CID 1476606
ethyl 3,5-dimethyl-2-(phenylhydrazono)-2H-pyrrole-4-carboxylate
CID 780157
Methyl 2-amino-1H-indole-3-carboxylate
CID 15154323
ethyl 5-({[(2-chlorophenyl)formohydrazido]carbonyl}amino)-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 2134008
ethyl 2-(2-butanoylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate
CID 42597063
ethyl 5-(4-methoxyphenyl)-2-[2-(3-methoxypropanoyl)hydrazinyl]-1H-pyrrole-3-carboxylate
CID 42600455
1H-Pyrrole-1-propanoic acid, 3-(ethoxycarbonyl)-2-methyl-5-phenyl-, hydrazide
CID 11681215
ethyl 2-(2-acetylhydrazinyl)-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate
CID 14144335
ethyl 2-(2-acetylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate
CID 14144337
ethyl 2-(2-acetylhydrazinyl)-5-(4-chlorophenyl)-1H-pyrrole-3-carboxylate
CID 14144343
ethyl 2-(2-ethoxycarbonylhydrazinyl)-5-phenyl-1H-pyrrole-3-carboxylate
CID 14144347
ethyl 2-(2-ethoxycarbonylhydrazinyl)-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate
CID 14144348

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-acetylhydrazinyl)-5-phenyl-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 2-(2-acetylhydrazinyl)-5-phenyl-1H-pyrrole-3-carboxylate (CID 14144334) is ethyl 2-(2-acetylhydrazinyl)-5-phenyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2-(2-acetylhydrazinyl)-5-phenyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2-(2-acetylhydrazinyl)-5-phenyl-1H-pyrrole-3-carboxylate is CCOC(=O)c1cc(-c2ccccc2)[nH]c1NNC(C)=O.
What is the InChIKey of ethyl 2-(2-acetylhydrazinyl)-5-phenyl-1H-pyrrole-3-carboxylate?
The InChIKey is IOWDOMGELQJJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-21-15(20)12-9-13(11-7-5-4-6-8-11)16-14(12)18-17-10(2)19/h4-9,16,18H,3H2,1-2H3,(H,17,19).
What are the key properties of ethyl 2-(2-acetylhydrazinyl)-5-phenyl-1H-pyrrole-3-carboxylate?
ethyl 2-(2-acetylhydrazinyl)-5-phenyl-1H-pyrrole-3-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-acetylhydrazinyl)-5-phenyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 14144334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).