4-ethenyl-3-ethyl-2-methyl-1,2-dihydropyrrol-5-one

C9H13NO — CID 123297761

IUPAC4-ethenyl-3-ethyl-2-methyl-1,2-dihydropyrrol-5-one
SMILESC=CC1=C(CC)C(C)NC1=O
InChIInChI=1S/C9H13NO/c1-4-7-6(3)10-9(11)8(7)5-2/h5-6H,2,4H2,1,3H3,(H,10,11)
InChIKeyPDCAZLQDUVFTLY-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.40
Rot. Bonds2

About 4-ethenyl-3-ethyl-2-methyl-1,2-dihydropyrrol-5-one

4-ethenyl-3-ethyl-2-methyl-1,2-dihydropyrrol-5-one (PubChem CID 123297761) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-ethenyl-3-ethyl-2-methyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name4-ethenyl-3-ethyl-2-methyl-1,2-dihydropyrrol-5-one
PubChem CID123297761
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name4-ethenyl-3-ethyl-2-methyl-1,2-dihydropyrrol-5-one
SMILESC=CC1=C(CC)C(C)NC1=O
InChIInChI=1S/C9H13NO/c1-4-7-6(3)10-9(11)8(7)5-2/h5-6H,2,4H2,1,3H3,(H,10,11)
InChIKeyPDCAZLQDUVFTLY-UHFFFAOYSA-N
XLogP1.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-1,2-dihydropyrrol-5-one
CID 143693552
3-ethyl-2,4,6-trimethyl-1,2-dihydropyridine
CID 126746027
4-methylazetidine-2,3-dione
CID 141376893
ethane;3-ethenyl-4-methylpyrrole-2,5-dione;prop-1-ene
CID 145336115
3-methyl-6-methylidenepiperazine-2,5-dione
CID 45117239
acetylene;ethane;3-(4-ethenyl-3-ethyl-5-oxo-2H-pyrrol-1-yl)piperidine-2,6-dione
CID 176988345
2,3,5,6-tetrakis(ethenyl)cyclohexa-2,5-diene-1,4-dione
CID 139417142
(5S,6S)-5,6-dimethylpiperazine-2,3-dione
CID 162361681
6-ethyl-3-methyl-1-prop-2-enylpiperazine-2,5-dione
CID 64873287
(3R,4S)-3-methyl-4-prop-2-enylazetidin-2-one
CID 55303809
ethane;5-ethenyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrimidin-4-one
CID 143089748
(3S,6S,9R,12S,15S)-3,6,9,12,15-pentamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 102149559

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3-ethyl-2-methyl-1,2-dihydropyrrol-5-one?
The IUPAC name of 4-ethenyl-3-ethyl-2-methyl-1,2-dihydropyrrol-5-one (CID 123297761) is 4-ethenyl-3-ethyl-2-methyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 4-ethenyl-3-ethyl-2-methyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 4-ethenyl-3-ethyl-2-methyl-1,2-dihydropyrrol-5-one is C=CC1=C(CC)C(C)NC1=O.
What is the InChIKey of 4-ethenyl-3-ethyl-2-methyl-1,2-dihydropyrrol-5-one?
The InChIKey is PDCAZLQDUVFTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-7-6(3)10-9(11)8(7)5-2/h5-6H,2,4H2,1,3H3,(H,10,11).
What are the key properties of 4-ethenyl-3-ethyl-2-methyl-1,2-dihydropyrrol-5-one?
4-ethenyl-3-ethyl-2-methyl-1,2-dihydropyrrol-5-one has a molecular weight of 151.21 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-ethyl-2-methyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 123297761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).