ethyl 1-acetyl-4-methyl-2,3-dihydropyrrole-5-carboxylate

C10H15NO3 — CID 10932400

IUPACethyl 1-acetyl-4-methyl-2,3-dihydropyrrole-5-carboxylate
SMILESCCOC(=O)C1=C(C)CCN1C(C)=O
InChIInChI=1S/C10H15NO3/c1-4-14-10(13)9-7(2)5-6-11(9)8(3)12/h4-6H2,1-3H3
InChIKeyJZSWEMHBVKLDQP-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.08
Rot. Bonds2

About ethyl 1-acetyl-4-methyl-2,3-dihydropyrrole-5-carboxylate

ethyl 1-acetyl-4-methyl-2,3-dihydropyrrole-5-carboxylate (PubChem CID 10932400) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is ethyl 1-acetyl-4-methyl-2,3-dihydropyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-acetyl-4-methyl-2,3-dihydropyrrole-5-carboxylate
PubChem CID10932400
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameethyl 1-acetyl-4-methyl-2,3-dihydropyrrole-5-carboxylate
SMILESCCOC(=O)C1=C(C)CCN1C(C)=O
InChIInChI=1S/C10H15NO3/c1-4-14-10(13)9-7(2)5-6-11(9)8(3)12/h4-6H2,1-3H3
InChIKeyJZSWEMHBVKLDQP-UHFFFAOYSA-N
XLogP1.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 1-ethyl-4-oxo-2,3-dihydropyridine-5,6-dicarboxylate
CID 44825770
5-(2-ethoxy-2-oxoethyl)-4-methyl-6-oxo-2,3-dihydropyridine-1-carboxylic acid
CID 141116666
ethyl 2-methyl-6-oxocyclohexene-1-carboxylate
CID 10726108
ethyl 2-methylidenepyrrolidine-1-carboxylate
CID 15313147
ethyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 566021
ethyl 1-(1-acetyl-2,3-dihydroindol-5-yl)-4-hydroxypyrazole-3-carboxylate
CID 705920
ethyl 2,5-dioxopiperidine-1-carboxylate
CID 59656581
ethyl 4-(1-acetyl-4-amino-3,4-dihydro-2H-quinolin-6-yl)benzoate
CID 123208013
ethyl 5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxylate
CID 110316008
ethyl 2-aminocyclopropene-1-carboxylate
CID 54193100
ethyl 5,6-dihydroindolizine-7-carboxylate
CID 24972449
ethyl 2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate
CID 154663343

Frequently Asked Questions

What is the IUPAC name of ethyl 1-acetyl-4-methyl-2,3-dihydropyrrole-5-carboxylate?
The IUPAC name of ethyl 1-acetyl-4-methyl-2,3-dihydropyrrole-5-carboxylate (CID 10932400) is ethyl 1-acetyl-4-methyl-2,3-dihydropyrrole-5-carboxylate.
What is the SMILES notation for ethyl 1-acetyl-4-methyl-2,3-dihydropyrrole-5-carboxylate?
The canonical SMILES for ethyl 1-acetyl-4-methyl-2,3-dihydropyrrole-5-carboxylate is CCOC(=O)C1=C(C)CCN1C(C)=O.
What is the InChIKey of ethyl 1-acetyl-4-methyl-2,3-dihydropyrrole-5-carboxylate?
The InChIKey is JZSWEMHBVKLDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-4-14-10(13)9-7(2)5-6-11(9)8(3)12/h4-6H2,1-3H3.
What are the key properties of ethyl 1-acetyl-4-methyl-2,3-dihydropyrrole-5-carboxylate?
ethyl 1-acetyl-4-methyl-2,3-dihydropyrrole-5-carboxylate has a molecular weight of 197.23 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-acetyl-4-methyl-2,3-dihydropyrrole-5-carboxylate is sourced from PubChem (CID 10932400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).