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

C11H15NO — CID 143693552

IUPAC3-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-1,2-dihydropyrrol-5-one
SMILESC=CC1=C(/C=C\CC)C(C)NC1=O
InChIInChI=1S/C11H15NO/c1-4-6-7-10-8(3)12-11(13)9(10)5-2/h5-8H,2,4H2,1,3H3,(H,12,13)/b7-6-
InChIKeyWKVBEUXGBBKZRK-SREVYHEPSA-N
MW177.25 g/mol
LogP1.95
Rot. Bonds3

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

3-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-1,2-dihydropyrrol-5-one (PubChem CID 143693552) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-1,2-dihydropyrrol-5-one
PubChem CID143693552
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-1,2-dihydropyrrol-5-one
SMILESC=CC1=C(/C=C\CC)C(C)NC1=O
InChIInChI=1S/C11H15NO/c1-4-6-7-10-8(3)12-11(13)9(10)5-2/h5-8H,2,4H2,1,3H3,(H,12,13)/b7-6-
InChIKeyWKVBEUXGBBKZRK-SREVYHEPSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethenyl-3-ethyl-2-methyl-1,2-dihydropyrrol-5-one
CID 123297761
6-[(E)-but-1-enyl]-2,5,7-trimethyl-2,3,4,5-tetrahydro-1H-azepine
CID 156727257
6-[(Z)-but-1-enyl]-5-ethenyl-3-methyl-1H-pyrimidine-2,4-dione
CID 129237383
5-[(Z)-but-1-enyl]-4-ethenyl-1H-pyrazole
CID 167231357
4-methylazetidine-2,3-dione
CID 141376893
2-[(E)-pent-2-enyl]cyclopentane-1,3-dione
CID 131235399
2-[(Z)-but-1-enyl]-3-ethenyl-6-methylpyran-4-one
CID 164603451
3-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2H-furan-5-one
CID 145190678
6-methyl-2-[(Z)-pent-2-enoxy]cyclohexa-1,3-diene
CID 143382100
6-ethyl-3-methyl-1-prop-2-enylpiperazine-2,5-dione
CID 64873287
3-methyl-6-methylidenepiperazine-2,5-dione
CID 45117239
4-[(Z)-but-1-enyl]-5-ethenyl-2-methyltriazole
CID 145065427

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-1,2-dihydropyrrol-5-one (CID 143693552) is 3-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-1,2-dihydropyrrol-5-one is C=CC1=C(/C=C\CC)C(C)NC1=O.
What is the InChIKey of 3-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-1,2-dihydropyrrol-5-one?
The InChIKey is WKVBEUXGBBKZRK-SREVYHEPSA-N. The full InChI is InChI=1S/C11H15NO/c1-4-6-7-10-8(3)12-11(13)9(10)5-2/h5-8H,2,4H2,1,3H3,(H,12,13)/b7-6-.
What are the key properties of 3-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-1,2-dihydropyrrol-5-one?
3-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-1,2-dihydropyrrol-5-one has a molecular weight of 177.25 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 143693552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).