1-ethyl-3-methyl-4-prop-1-enyl-2H-pyrrol-5-one

C10H15NO — CID 91192973

IUPAC1-ethyl-3-methyl-4-prop-1-enyl-2H-pyrrol-5-one
SMILESCC=CC1=C(C)CN(CC)C1=O
InChIInChI=1S/C10H15NO/c1-4-6-9-8(3)7-11(5-2)10(9)12/h4,6H,5,7H2,1-3H3
InChIKeyZEFVCDHTCBVLBA-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.74
Rot. Bonds2

About 1-ethyl-3-methyl-4-prop-1-enyl-2H-pyrrol-5-one

1-ethyl-3-methyl-4-prop-1-enyl-2H-pyrrol-5-one (PubChem CID 91192973) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-ethyl-3-methyl-4-prop-1-enyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-ethyl-3-methyl-4-prop-1-enyl-2H-pyrrol-5-one
PubChem CID91192973
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-ethyl-3-methyl-4-prop-1-enyl-2H-pyrrol-5-one
SMILESCC=CC1=C(C)CN(CC)C1=O
InChIInChI=1S/C10H15NO/c1-4-6-9-8(3)7-11(5-2)10(9)12/h4,6H,5,7H2,1-3H3
InChIKeyZEFVCDHTCBVLBA-UHFFFAOYSA-N
XLogP1.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethenyl-1-ethyl-3-methyl-2H-pyrrol-5-one
CID 170081834
(3Z)-1-ethyl-3-(hydroxymethylidene)pyrrolidine-2,4-dione
CID 138538784
1-methoxy-3,4-bis[(Z)-prop-1-enyl]pyrrole-2,5-dione
CID 137491853
3-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-1-phenyl-2H-pyrrol-5-one
CID 143813843
1,4-diethyl-1,4-diazepane-2,3-dione
CID 12707289
3-methyl-1-(2-piperidin-4-ylidenepropyl)-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione
CID 143028218
1-ethyl-3-sulfanylimidazolidine-2,4-dione
CID 142020471
1-ethyl-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid
CID 54691762
2-(4-ethyl-2,5-dioxopiperazin-1-yl)acetaldehyde
CID 79942303
ethyl 1-ethyl-4-methoxy-5-oxo-2H-pyrrole-3-carboxylate
CID 39733378
1-ethyl-4-methylidene-3-prop-1-en-2-yliminopyrrolidin-2-one
CID 144549976
ethane;1-[3-[2-methylidenebut-3-enyl(pent-4-enyl)amino]propyl]-3,4-bis[(Z)-prop-1-enyl]-2H-pyrrol-5-one
CID 145030827

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-4-prop-1-enyl-2H-pyrrol-5-one?
The IUPAC name of 1-ethyl-3-methyl-4-prop-1-enyl-2H-pyrrol-5-one (CID 91192973) is 1-ethyl-3-methyl-4-prop-1-enyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-ethyl-3-methyl-4-prop-1-enyl-2H-pyrrol-5-one?
The canonical SMILES for 1-ethyl-3-methyl-4-prop-1-enyl-2H-pyrrol-5-one is CC=CC1=C(C)CN(CC)C1=O.
What is the InChIKey of 1-ethyl-3-methyl-4-prop-1-enyl-2H-pyrrol-5-one?
The InChIKey is ZEFVCDHTCBVLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-6-9-8(3)7-11(5-2)10(9)12/h4,6H,5,7H2,1-3H3.
What are the key properties of 1-ethyl-3-methyl-4-prop-1-enyl-2H-pyrrol-5-one?
1-ethyl-3-methyl-4-prop-1-enyl-2H-pyrrol-5-one has a molecular weight of 165.24 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-4-prop-1-enyl-2H-pyrrol-5-one is sourced from PubChem (CID 91192973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).