3-ethenyl-1-[3-methyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one

C19H28N2O2 — CID 142386068

IUPAC3-ethenyl-1-[3-methyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one
SMILESC=CC1=C(/C=C\C)C(=O)N(C(C(=O)N2CCCC2C)C(C)C)C1
InChIInChI=1S/C19H28N2O2/c1-6-9-16-15(7-2)12-21(18(16)22)17(13(3)4)19(23)20-11-8-10-14(20)5/h6-7,9,13-14,17H,2,8,10-12H2,1,3-5H3/b9-6-
InChIKeyMJSROWHSVUCODO-TWGQIWQCSA-N
MW316.44 g/mol
LogP2.92
Rot. Bonds5

About 3-ethenyl-1-[3-methyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one

3-ethenyl-1-[3-methyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one (PubChem CID 142386068) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 3-ethenyl-1-[3-methyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-ethenyl-1-[3-methyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one
PubChem CID142386068
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name3-ethenyl-1-[3-methyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one
SMILESC=CC1=C(/C=C\C)C(=O)N(C(C(=O)N2CCCC2C)C(C)C)C1
InChIInChI=1S/C19H28N2O2/c1-6-9-16-15(7-2)12-21(18(16)22)17(13(3)4)19(23)20-11-8-10-14(20)5/h6-7,9,13-14,17H,2,8,10-12H2,1,3-5H3/b9-6-
InChIKeyMJSROWHSVUCODO-TWGQIWQCSA-N
XLogP2.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2E,4E)-2-Methyl-1-[(S)-2-(pyrrolidine-1-carbonyl)-pyrrolidin-1-yl]-octa-2,4-dien-1-one
CID 44292388
1-[2-[4-(1-fluoroethenyl)-5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]-3-methylbutanoyl]pyrrolidine-2-carbaldehyde
CID 153398592
1-[2-[4-ethenyl-3-[(E)-1-fluoroprop-1-enyl]-5-oxo-2H-pyrrol-1-yl]-3-methylbutanoyl]pyrrolidine-2-carbaldehyde
CID 168901431
[(4R)-4-methylcyclohexa-1,5-dien-1-yl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 70919833
(2E,4Z)-2-ethenyl-1-[(2R)-2-[[ethyl(propyl)amino]methyl]pyrrolidin-1-yl]hexa-2,4-dien-1-one
CID 143933029
(E)-2-[(Z)-prop-1-enyl]-1-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]hex-2-en-1-one
CID 166868496
N-acetyl-2-[3-methyl-5-oxo-4-[(1E)-2-pyrrolidin-3-ylbuta-1,3-dienyl]-2H-pyrrol-1-yl]propanamide
CID 170979013
2-[4-ethenyl-5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]-3-methylbutanal;1-methyl-N-[(E)-2-prop-1-en-2-ylbut-2-enyl]pyrrolidine-2-carboxamide
CID 171566887
1-[(2R,3S)-2-methyl-1-prop-2-enoylpyrrolidin-3-yl]-5-propan-2-ylpyridin-2-one
CID 176827556
1-methyl-4-{1-[1-methyl-2-oxo-2-(1-pyrrolidinyl)ethyl]-4-piperidinyl}-2(1H)-pyridinone
CID 138385747
1-[2-[4-ethenyl-5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]-3-methylbutanoyl]pyrrolidine-2-carbaldehyde
CID 142365158
1-[2-[3,4-bis(ethenyl)-5-oxo-2H-pyrrol-1-yl]-3-methylbutanoyl]pyrrolidine-2-carbaldehyde
CID 142389421

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1-[3-methyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one?
The IUPAC name of 3-ethenyl-1-[3-methyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one (CID 142386068) is 3-ethenyl-1-[3-methyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one.
What is the SMILES notation for 3-ethenyl-1-[3-methyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one?
The canonical SMILES for 3-ethenyl-1-[3-methyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one is C=CC1=C(/C=C\C)C(=O)N(C(C(=O)N2CCCC2C)C(C)C)C1.
What is the InChIKey of 3-ethenyl-1-[3-methyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one?
The InChIKey is MJSROWHSVUCODO-TWGQIWQCSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-6-9-16-15(7-2)12-21(18(16)22)17(13(3)4)19(23)20-11-8-10-14(20)5/h6-7,9,13-14,17H,2,8,10-12H2,1,3-5H3/b9-6-.
What are the key properties of 3-ethenyl-1-[3-methyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one?
3-ethenyl-1-[3-methyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one has a molecular weight of 316.44 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-[3-methyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one is sourced from PubChem (CID 142386068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).