4-methyl-3-(prop-2-enylideneamino)-1,2-dihydropyrrol-5-one

C8H10N2O — CID 164865274

IUPAC4-methyl-3-(prop-2-enylideneamino)-1,2-dihydropyrrol-5-one
SMILESC=C/C=N/C1=C(C)C(=O)NC1
InChIInChI=1S/C8H10N2O/c1-3-4-9-7-5-10-8(11)6(7)2/h3-4H,1,5H2,2H3,(H,10,11)/b9-4+
InChIKeyCHFPDFKSJIOSIH-RUDMXATFSA-N
MW150.18 g/mol
LogP0.65
Rot. Bonds2

About 4-methyl-3-(prop-2-enylideneamino)-1,2-dihydropyrrol-5-one

4-methyl-3-(prop-2-enylideneamino)-1,2-dihydropyrrol-5-one (PubChem CID 164865274) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 4-methyl-3-(prop-2-enylideneamino)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name4-methyl-3-(prop-2-enylideneamino)-1,2-dihydropyrrol-5-one
PubChem CID164865274
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name4-methyl-3-(prop-2-enylideneamino)-1,2-dihydropyrrol-5-one
SMILESC=C/C=N/C1=C(C)C(=O)NC1
InChIInChI=1S/C8H10N2O/c1-3-4-9-7-5-10-8(11)6(7)2/h3-4H,1,5H2,2H3,(H,10,11)/b9-4+
InChIKeyCHFPDFKSJIOSIH-RUDMXATFSA-N
XLogP0.65
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(prop-2-enylideneamino)-1,2-dihydropyrrol-5-one?
The IUPAC name of 4-methyl-3-(prop-2-enylideneamino)-1,2-dihydropyrrol-5-one (CID 164865274) is 4-methyl-3-(prop-2-enylideneamino)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 4-methyl-3-(prop-2-enylideneamino)-1,2-dihydropyrrol-5-one?
The canonical SMILES for 4-methyl-3-(prop-2-enylideneamino)-1,2-dihydropyrrol-5-one is C=C/C=N/C1=C(C)C(=O)NC1.
What is the InChIKey of 4-methyl-3-(prop-2-enylideneamino)-1,2-dihydropyrrol-5-one?
The InChIKey is CHFPDFKSJIOSIH-RUDMXATFSA-N. The full InChI is InChI=1S/C8H10N2O/c1-3-4-9-7-5-10-8(11)6(7)2/h3-4H,1,5H2,2H3,(H,10,11)/b9-4+.
What are the key properties of 4-methyl-3-(prop-2-enylideneamino)-1,2-dihydropyrrol-5-one?
4-methyl-3-(prop-2-enylideneamino)-1,2-dihydropyrrol-5-one has a molecular weight of 150.18 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(prop-2-enylideneamino)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 164865274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).