methyl 2-(3-ethenyl-2,5-dihydropyrrol-1-yl)propanoate

C10H15NO2 — CID 135056973

IUPACmethyl 2-(3-ethenyl-2,5-dihydropyrrol-1-yl)propanoate
SMILESC=CC1=CCN(C(C)C(=O)OC)C1
InChIInChI=1S/C10H15NO2/c1-4-9-5-6-11(7-9)8(2)10(12)13-3/h4-5,8H,1,6-7H2,2-3H3
InChIKeyLVJYSXNRYADWRC-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.98
Rot. Bonds3

About methyl 2-(3-ethenyl-2,5-dihydropyrrol-1-yl)propanoate

methyl 2-(3-ethenyl-2,5-dihydropyrrol-1-yl)propanoate (PubChem CID 135056973) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is methyl 2-(3-ethenyl-2,5-dihydropyrrol-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-ethenyl-2,5-dihydropyrrol-1-yl)propanoate
PubChem CID135056973
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Namemethyl 2-(3-ethenyl-2,5-dihydropyrrol-1-yl)propanoate
SMILESC=CC1=CCN(C(C)C(=O)OC)C1
InChIInChI=1S/C10H15NO2/c1-4-9-5-6-11(7-9)8(2)10(12)13-3/h4-5,8H,1,6-7H2,2-3H3
InChIKeyLVJYSXNRYADWRC-UHFFFAOYSA-N
XLogP0.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-ethenyl-2,5-dihydropyrrol-1-yl)propanoate?
The IUPAC name of methyl 2-(3-ethenyl-2,5-dihydropyrrol-1-yl)propanoate (CID 135056973) is methyl 2-(3-ethenyl-2,5-dihydropyrrol-1-yl)propanoate.
What is the SMILES notation for methyl 2-(3-ethenyl-2,5-dihydropyrrol-1-yl)propanoate?
The canonical SMILES for methyl 2-(3-ethenyl-2,5-dihydropyrrol-1-yl)propanoate is C=CC1=CCN(C(C)C(=O)OC)C1.
What is the InChIKey of methyl 2-(3-ethenyl-2,5-dihydropyrrol-1-yl)propanoate?
The InChIKey is LVJYSXNRYADWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-9-5-6-11(7-9)8(2)10(12)13-3/h4-5,8H,1,6-7H2,2-3H3.
What are the key properties of methyl 2-(3-ethenyl-2,5-dihydropyrrol-1-yl)propanoate?
methyl 2-(3-ethenyl-2,5-dihydropyrrol-1-yl)propanoate has a molecular weight of 181.23 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-ethenyl-2,5-dihydropyrrol-1-yl)propanoate is sourced from PubChem (CID 135056973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).