methyl 4-(3-chlorophenyl)-1-propan-2-ylpyrrole-2-carboxylate

C15H16ClNO2 — CID 117222880

IUPACmethyl 4-(3-chlorophenyl)-1-propan-2-ylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(Cl)c2)cn1C(C)C
InChIInChI=1S/C15H16ClNO2/c1-10(2)17-9-12(8-14(17)15(18)19-3)11-5-4-6-13(16)7-11/h4-10H,1-3H3
InChIKeyZKVOBBUUJDVOIR-UHFFFAOYSA-N
MW277.75 g/mol
LogP4.18
Rot. Bonds3

About methyl 4-(3-chlorophenyl)-1-propan-2-ylpyrrole-2-carboxylate

methyl 4-(3-chlorophenyl)-1-propan-2-ylpyrrole-2-carboxylate (PubChem CID 117222880) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is methyl 4-(3-chlorophenyl)-1-propan-2-ylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-chlorophenyl)-1-propan-2-ylpyrrole-2-carboxylate
PubChem CID117222880
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Namemethyl 4-(3-chlorophenyl)-1-propan-2-ylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(Cl)c2)cn1C(C)C
InChIInChI=1S/C15H16ClNO2/c1-10(2)17-9-12(8-14(17)15(18)19-3)11-5-4-6-13(16)7-11/h4-10H,1-3H3
InChIKeyZKVOBBUUJDVOIR-UHFFFAOYSA-N
XLogP4.18
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxylate
CID 117222899
methyl 4-(3-chlorophenyl)-1-ethylpyrrole-2-carboxylate
CID 117222878
methyl 4-(3-hydroxyphenyl)-1-methylpyrrole-2-carboxylate
CID 56712674
dimethyl 4-(3-chlorophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylate
CID 775751
methyl 3-(3-chlorophenyl)-1-methylpyrrole-2-carboxylate
CID 117222996
methyl 4-[2-amino-5-(3-chlorophenyl)pyrimidin-4-yl]-1-(2-amino-2-oxo-1-pyridin-2-ylethyl)pyrrole-2-carboxylate
CID 69427782
methyl 2-(1-bromoethyl)-6-(3-chlorophenyl)pyridine-3-carboxylate
CID 134280354
methyl 3-(3-chlorophenyl)-1,2-thiazole-5-carboxylate
CID 13073226
[4-(3-aminophenyl)-1-propan-2-ylpyrrol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 171779578
methyl 4-(3-chlorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate
CID 117225195
(2S)-2-[4-(3-chlorophenyl)pyrazol-1-yl]propanoic acid
CID 97034148
methyl 3-(3-chlorophenyl)-4-methylthiophene-2-carboxylate
CID 103172925

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-chlorophenyl)-1-propan-2-ylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-(3-chlorophenyl)-1-propan-2-ylpyrrole-2-carboxylate (CID 117222880) is methyl 4-(3-chlorophenyl)-1-propan-2-ylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-(3-chlorophenyl)-1-propan-2-ylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-(3-chlorophenyl)-1-propan-2-ylpyrrole-2-carboxylate is COC(=O)c1cc(-c2cccc(Cl)c2)cn1C(C)C.
What is the InChIKey of methyl 4-(3-chlorophenyl)-1-propan-2-ylpyrrole-2-carboxylate?
The InChIKey is ZKVOBBUUJDVOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-10(2)17-9-12(8-14(17)15(18)19-3)11-5-4-6-13(16)7-11/h4-10H,1-3H3.
What are the key properties of methyl 4-(3-chlorophenyl)-1-propan-2-ylpyrrole-2-carboxylate?
methyl 4-(3-chlorophenyl)-1-propan-2-ylpyrrole-2-carboxylate has a molecular weight of 277.75 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-chlorophenyl)-1-propan-2-ylpyrrole-2-carboxylate is sourced from PubChem (CID 117222880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).