ethyl 3-(1-methylpyrrol-2-yl)propanoate

C10H15NO2 — CID 69110219

IUPACethyl 3-(1-methylpyrrol-2-yl)propanoate
SMILESCCOC(=O)CCc1cccn1C
InChIInChI=1S/C10H15NO2/c1-3-13-10(12)7-6-9-5-4-8-11(9)2/h4-5,8H,3,6-7H2,1-2H3
InChIKeyKMNAIAVULVTTJS-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.52
Rot. Bonds4

About ethyl 3-(1-methylpyrrol-2-yl)propanoate

ethyl 3-(1-methylpyrrol-2-yl)propanoate (PubChem CID 69110219) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is ethyl 3-(1-methylpyrrol-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(1-methylpyrrol-2-yl)propanoate
PubChem CID69110219
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Nameethyl 3-(1-methylpyrrol-2-yl)propanoate
SMILESCCOC(=O)CCc1cccn1C
InChIInChI=1S/C10H15NO2/c1-3-13-10(12)7-6-9-5-4-8-11(9)2/h4-5,8H,3,6-7H2,1-2H3
InChIKeyKMNAIAVULVTTJS-UHFFFAOYSA-N
XLogP1.52
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1-methylpyrrol-2-yl)propanoate?
The IUPAC name of ethyl 3-(1-methylpyrrol-2-yl)propanoate (CID 69110219) is ethyl 3-(1-methylpyrrol-2-yl)propanoate.
What is the SMILES notation for ethyl 3-(1-methylpyrrol-2-yl)propanoate?
The canonical SMILES for ethyl 3-(1-methylpyrrol-2-yl)propanoate is CCOC(=O)CCc1cccn1C.
What is the InChIKey of ethyl 3-(1-methylpyrrol-2-yl)propanoate?
The InChIKey is KMNAIAVULVTTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-13-10(12)7-6-9-5-4-8-11(9)2/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of ethyl 3-(1-methylpyrrol-2-yl)propanoate?
ethyl 3-(1-methylpyrrol-2-yl)propanoate has a molecular weight of 181.23 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1-methylpyrrol-2-yl)propanoate is sourced from PubChem (CID 69110219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).