1,3-dihydropyrrol-2-one;ethyl 2-methylprop-2-enoate

C10H15NO3 — CID 175889137

IUPAC1,3-dihydropyrrol-2-one;ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC.O=C1CC=CN1
InChIInChI=1S/C6H10O2.C4H5NO/c1-4-8-6(7)5(2)3;6-4-2-1-3-5-4/h2,4H2,1,3H3;1,3H,2H2,(H,5,6)
InChIKeyFGAJWENBUXJFJV-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.15
Rot. Bonds2

About 1,3-dihydropyrrol-2-one;ethyl 2-methylprop-2-enoate

1,3-dihydropyrrol-2-one;ethyl 2-methylprop-2-enoate (PubChem CID 175889137) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1,3-dihydropyrrol-2-one;ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1,3-dihydropyrrol-2-one;ethyl 2-methylprop-2-enoate
PubChem CID175889137
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1,3-dihydropyrrol-2-one;ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC.O=C1CC=CN1
InChIInChI=1S/C6H10O2.C4H5NO/c1-4-8-6(7)5(2)3;6-4-2-1-3-5-4/h2,4H2,1,3H3;1,3H,2H2,(H,5,6)
InChIKeyFGAJWENBUXJFJV-UHFFFAOYSA-N
XLogP1.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-methylprop-2-enoate
CID 130475774
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;methane
CID 159235789
sodium;ethyl 2-methylprop-2-enoate;hydride
CID 173442862
adamantane;ethyl 2-methylprop-2-enoate
CID 175529705
ethenol;ethyl 2-methylprop-2-enoate
CID 174606807
ethoxybenzene;ethyl 2-methylprop-2-enoate
CID 175299667
anthracene;ethyl 2-methylprop-2-enoate
CID 126715245
butanedioic acid;bis(ethyl 2-methylprop-2-enoate)
CID 22400036
cyanic acid;ethyl 2-methylprop-2-enoate
CID 172737974

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydropyrrol-2-one;ethyl 2-methylprop-2-enoate?
The IUPAC name of 1,3-dihydropyrrol-2-one;ethyl 2-methylprop-2-enoate (CID 175889137) is 1,3-dihydropyrrol-2-one;ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1,3-dihydropyrrol-2-one;ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1,3-dihydropyrrol-2-one;ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC.O=C1CC=CN1.
What is the InChIKey of 1,3-dihydropyrrol-2-one;ethyl 2-methylprop-2-enoate?
The InChIKey is FGAJWENBUXJFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C4H5NO/c1-4-8-6(7)5(2)3;6-4-2-1-3-5-4/h2,4H2,1,3H3;1,3H,2H2,(H,5,6).
What are the key properties of 1,3-dihydropyrrol-2-one;ethyl 2-methylprop-2-enoate?
1,3-dihydropyrrol-2-one;ethyl 2-methylprop-2-enoate has a molecular weight of 197.23 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydropyrrol-2-one;ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 175889137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).