4-ethenyl-3-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one

C9H11NO — CID 89169821

IUPAC4-ethenyl-3-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one
SMILESC=CC1=C(/C=C\C)CNC1=O
InChIInChI=1S/C9H11NO/c1-3-5-7-6-10-9(11)8(7)4-2/h3-5H,2,6H2,1H3,(H,10,11)/b5-3-
InChIKeyBSCZMNGURYCCAO-HYXAFXHYSA-N
MW149.19 g/mol
LogP1.17
Rot. Bonds2

About 4-ethenyl-3-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one

4-ethenyl-3-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one (PubChem CID 89169821) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 4-ethenyl-3-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name4-ethenyl-3-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one
PubChem CID89169821
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name4-ethenyl-3-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one
SMILESC=CC1=C(/C=C\C)CNC1=O
InChIInChI=1S/C9H11NO/c1-3-5-7-6-10-9(11)8(7)4-2/h3-5H,2,6H2,1H3,(H,10,11)/b5-3-
InChIKeyBSCZMNGURYCCAO-HYXAFXHYSA-N
XLogP1.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one?
The IUPAC name of 4-ethenyl-3-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one (CID 89169821) is 4-ethenyl-3-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 4-ethenyl-3-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one?
The canonical SMILES for 4-ethenyl-3-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one is C=CC1=C(/C=C\C)CNC1=O.
What is the InChIKey of 4-ethenyl-3-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one?
The InChIKey is BSCZMNGURYCCAO-HYXAFXHYSA-N. The full InChI is InChI=1S/C9H11NO/c1-3-5-7-6-10-9(11)8(7)4-2/h3-5H,2,6H2,1H3,(H,10,11)/b5-3-.
What are the key properties of 4-ethenyl-3-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one?
4-ethenyl-3-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one has a molecular weight of 149.19 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 89169821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).