3-methoxy-2-prop-2-enyl-1,2-dihydropyrrol-5-one

C8H11NO2 — CID 45083040

IUPAC3-methoxy-2-prop-2-enyl-1,2-dihydropyrrol-5-one
SMILESC=CCC1NC(=O)C=C1OC
InChIInChI=1S/C8H11NO2/c1-3-4-6-7(11-2)5-8(10)9-6/h3,5-6H,1,4H2,2H3,(H,9,10)
InChIKeyJSFCDDMCLAIWQT-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.59
Rot. Bonds3

About 3-methoxy-2-prop-2-enyl-1,2-dihydropyrrol-5-one

3-methoxy-2-prop-2-enyl-1,2-dihydropyrrol-5-one (PubChem CID 45083040) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-methoxy-2-prop-2-enyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-methoxy-2-prop-2-enyl-1,2-dihydropyrrol-5-one
PubChem CID45083040
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3-methoxy-2-prop-2-enyl-1,2-dihydropyrrol-5-one
SMILESC=CCC1NC(=O)C=C1OC
InChIInChI=1S/C8H11NO2/c1-3-4-6-7(11-2)5-8(10)9-6/h3,5-6H,1,4H2,2H3,(H,9,10)
InChIKeyJSFCDDMCLAIWQT-UHFFFAOYSA-N
XLogP0.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-prop-2-enyl-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-methoxy-2-prop-2-enyl-1,2-dihydropyrrol-5-one (CID 45083040) is 3-methoxy-2-prop-2-enyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-methoxy-2-prop-2-enyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-methoxy-2-prop-2-enyl-1,2-dihydropyrrol-5-one is C=CCC1NC(=O)C=C1OC.
What is the InChIKey of 3-methoxy-2-prop-2-enyl-1,2-dihydropyrrol-5-one?
The InChIKey is JSFCDDMCLAIWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-4-6-7(11-2)5-8(10)9-6/h3,5-6H,1,4H2,2H3,(H,9,10).
What are the key properties of 3-methoxy-2-prop-2-enyl-1,2-dihydropyrrol-5-one?
3-methoxy-2-prop-2-enyl-1,2-dihydropyrrol-5-one has a molecular weight of 153.18 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-prop-2-enyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 45083040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).