methyl 2-[5-(4-methoxybenzoyl)-3-methyl-1H-pyrrol-2-yl]acetate

C16H17NO4 — CID 67639316

IUPACmethyl 2-[5-(4-methoxybenzoyl)-3-methyl-1H-pyrrol-2-yl]acetate
SMILESCOC(=O)Cc1[nH]c(C(=O)c2ccc(OC)cc2)cc1C
InChIInChI=1S/C16H17NO4/c1-10-8-14(17-13(10)9-15(18)21-3)16(19)11-4-6-12(20-2)7-5-11/h4-8,17H,9H2,1-3H3
InChIKeyFHMCNPUZFZSZGK-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.28
Rot. Bonds5

About methyl 2-[5-(4-methoxybenzoyl)-3-methyl-1H-pyrrol-2-yl]acetate

methyl 2-[5-(4-methoxybenzoyl)-3-methyl-1H-pyrrol-2-yl]acetate (PubChem CID 67639316) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 2-[5-(4-methoxybenzoyl)-3-methyl-1H-pyrrol-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(4-methoxybenzoyl)-3-methyl-1H-pyrrol-2-yl]acetate
PubChem CID67639316
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Namemethyl 2-[5-(4-methoxybenzoyl)-3-methyl-1H-pyrrol-2-yl]acetate
SMILESCOC(=O)Cc1[nH]c(C(=O)c2ccc(OC)cc2)cc1C
InChIInChI=1S/C16H17NO4/c1-10-8-14(17-13(10)9-15(18)21-3)16(19)11-4-6-12(20-2)7-5-11/h4-8,17H,9H2,1-3H3
InChIKeyFHMCNPUZFZSZGK-UHFFFAOYSA-N
XLogP2.28
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4,5-dibromo-1H-pyrrol-2-yl)-(4-methoxyphenyl)methanone
CID 21488739
methyl 2-(5-methoxy-2-methylphenyl)acetate
CID 170997183
methyl 2-(3-methyl-6-oxo-1H-pyridin-2-yl)acetate
CID 130853662
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
[5-(4-methoxybenzoyl)-3-pyridinyl]-(4-methoxyphenyl)methanone
CID 102584961
methyl 2-(2-acetyl-5-methoxyphenyl)acetate
CID 10632802
methyl 2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]acetate
CID 116880251
methyl 2-[3-ethyl-4-(4-methoxyphenoxy)-5-methylphenyl]acetate
CID 144504941
methyl 2-[3-methyl-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134678346
(4-methoxyphenyl)-(5-methylfuran-3-yl)methanone
CID 114819430
(3,5-dimethoxyphenyl)-(5-methoxy-1H-indol-2-yl)methanone
CID 10403180

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(4-methoxybenzoyl)-3-methyl-1H-pyrrol-2-yl]acetate?
The IUPAC name of methyl 2-[5-(4-methoxybenzoyl)-3-methyl-1H-pyrrol-2-yl]acetate (CID 67639316) is methyl 2-[5-(4-methoxybenzoyl)-3-methyl-1H-pyrrol-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-(4-methoxybenzoyl)-3-methyl-1H-pyrrol-2-yl]acetate?
The canonical SMILES for methyl 2-[5-(4-methoxybenzoyl)-3-methyl-1H-pyrrol-2-yl]acetate is COC(=O)Cc1[nH]c(C(=O)c2ccc(OC)cc2)cc1C.
What is the InChIKey of methyl 2-[5-(4-methoxybenzoyl)-3-methyl-1H-pyrrol-2-yl]acetate?
The InChIKey is FHMCNPUZFZSZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-10-8-14(17-13(10)9-15(18)21-3)16(19)11-4-6-12(20-2)7-5-11/h4-8,17H,9H2,1-3H3.
What are the key properties of methyl 2-[5-(4-methoxybenzoyl)-3-methyl-1H-pyrrol-2-yl]acetate?
methyl 2-[5-(4-methoxybenzoyl)-3-methyl-1H-pyrrol-2-yl]acetate has a molecular weight of 287.32 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(4-methoxybenzoyl)-3-methyl-1H-pyrrol-2-yl]acetate is sourced from PubChem (CID 67639316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).