methyl 4-(4-chlorophenyl)-1-[(Z)-dimethylaminomethylideneamino]pyrrole-2-carboxylate

C15H16ClN3O2 — CID 67390294

IUPACmethyl 4-(4-chlorophenyl)-1-[(Z)-dimethylaminomethylideneamino]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Cl)cc2)cn1/N=C\N(C)C
InChIInChI=1S/C15H16ClN3O2/c1-18(2)10-17-19-9-12(8-14(19)15(20)21-3)11-4-6-13(16)7-5-11/h4-10H,1-3H3/b17-10-
InChIKeyDGZDCRIXDVGSBM-YVLHZVERSA-N
MW305.77 g/mol
LogP2.95
Rot. Bonds4

About methyl 4-(4-chlorophenyl)-1-[(Z)-dimethylaminomethylideneamino]pyrrole-2-carboxylate

methyl 4-(4-chlorophenyl)-1-[(Z)-dimethylaminomethylideneamino]pyrrole-2-carboxylate (PubChem CID 67390294) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is methyl 4-(4-chlorophenyl)-1-[(Z)-dimethylaminomethylideneamino]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-chlorophenyl)-1-[(Z)-dimethylaminomethylideneamino]pyrrole-2-carboxylate
PubChem CID67390294
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Namemethyl 4-(4-chlorophenyl)-1-[(Z)-dimethylaminomethylideneamino]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Cl)cc2)cn1/N=C\N(C)C
InChIInChI=1S/C15H16ClN3O2/c1-18(2)10-17-19-9-12(8-14(19)15(20)21-3)11-4-6-13(16)7-5-11/h4-10H,1-3H3/b17-10-
InChIKeyDGZDCRIXDVGSBM-YVLHZVERSA-N
XLogP2.95
TPSA46.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methyl 4-(4-chlorophenyl)-1-[(Z)-dimethylaminomethylideneamino]pyrrole-2-carboxylate 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

4-(4-chlorophenyl)-1-[(E)-dimethylaminomethylideneamino]-N-(4-hydroxy-3-methoxyphenyl)pyrrole-2-carboxamide
CID 88902129
methyl 1-methyl-4-(4-methylphenyl)pyrrole-2-carboxylate
CID 58326664
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147
methyl 1-ethyl-4-(4-methylphenyl)pyrrole-2-carboxylate
CID 117223182
methyl 2,5-dichloro-3-(dimethylaminomethylideneamino)benzoate
CID 91733961
methyl 5-(4-chlorophenyl)-1-methylpyrrole-2-carboxylate
CID 117223101
methyl 3-chloro-5-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 44822298
methyl 4-(4-hydroxyphenyl)-1-methylpyrrole-2-carboxylate
CID 117223159
methyl 4-(3-chlorophenyl)-1-ethylpyrrole-2-carboxylate
CID 117222878
methyl 4-(4-chlorophenyl)-3-methylbenzoate
CID 58610225
4-(2-chloro-5-methyl-4-pyridinyl)-2-methoxycarbonylpyrrole-1-carboxylic acid
CID 129116628
methyl 1-(4-chlorophenyl)isoquinoline-3-carboxylate
CID 131843858

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-chlorophenyl)-1-[(Z)-dimethylaminomethylideneamino]pyrrole-2-carboxylate?
The IUPAC name of methyl 4-(4-chlorophenyl)-1-[(Z)-dimethylaminomethylideneamino]pyrrole-2-carboxylate (CID 67390294) is methyl 4-(4-chlorophenyl)-1-[(Z)-dimethylaminomethylideneamino]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-(4-chlorophenyl)-1-[(Z)-dimethylaminomethylideneamino]pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-(4-chlorophenyl)-1-[(Z)-dimethylaminomethylideneamino]pyrrole-2-carboxylate is COC(=O)c1cc(-c2ccc(Cl)cc2)cn1/N=C\N(C)C.
What is the InChIKey of methyl 4-(4-chlorophenyl)-1-[(Z)-dimethylaminomethylideneamino]pyrrole-2-carboxylate?
The InChIKey is DGZDCRIXDVGSBM-YVLHZVERSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-18(2)10-17-19-9-12(8-14(19)15(20)21-3)11-4-6-13(16)7-5-11/h4-10H,1-3H3/b17-10-.
What are the key properties of methyl 4-(4-chlorophenyl)-1-[(Z)-dimethylaminomethylideneamino]pyrrole-2-carboxylate?
methyl 4-(4-chlorophenyl)-1-[(Z)-dimethylaminomethylideneamino]pyrrole-2-carboxylate has a molecular weight of 305.77 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-chlorophenyl)-1-[(Z)-dimethylaminomethylideneamino]pyrrole-2-carboxylate is sourced from PubChem (CID 67390294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).