5-[3-[(E)-2-fluoroprop-1-enyl]-2-methylidene-5-oxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-6-methylidenepiperidin-2-one

C17H19FN2O2 — CID 171801846

IUPAC5-[3-[(E)-2-fluoroprop-1-enyl]-2-methylidene-5-oxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-6-methylidenepiperidin-2-one
SMILESC=C1NC(=O)CCC1N1C(=C)C(/C=C(\C)F)=C(/C=C\C)C1=O
InChIInChI=1S/C17H19FN2O2/c1-5-6-13-14(9-10(2)18)12(4)20(17(13)22)15-7-8-16(21)19-11(15)3/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,19,21)/b6-5-,10-9+
InChIKeyUUIMQZDCPJFANP-MLCWLASSSA-N
MW302.35 g/mol
LogP2.88
Rot. Bonds3

About 5-[3-[(E)-2-fluoroprop-1-enyl]-2-methylidene-5-oxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-6-methylidenepiperidin-2-one

5-[3-[(E)-2-fluoroprop-1-enyl]-2-methylidene-5-oxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-6-methylidenepiperidin-2-one (PubChem CID 171801846) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 5-[3-[(E)-2-fluoroprop-1-enyl]-2-methylidene-5-oxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-6-methylidenepiperidin-2-one.

Molecular Properties

Compound Name5-[3-[(E)-2-fluoroprop-1-enyl]-2-methylidene-5-oxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-6-methylidenepiperidin-2-one
PubChem CID171801846
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name5-[3-[(E)-2-fluoroprop-1-enyl]-2-methylidene-5-oxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-6-methylidenepiperidin-2-one
SMILESC=C1NC(=O)CCC1N1C(=C)C(/C=C(\C)F)=C(/C=C\C)C1=O
InChIInChI=1S/C17H19FN2O2/c1-5-6-13-14(9-10(2)18)12(4)20(17(13)22)15-7-8-16(21)19-11(15)3/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,19,21)/b6-5-,10-9+
InChIKeyUUIMQZDCPJFANP-MLCWLASSSA-N
XLogP2.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethenyl-5-oxo-3-prop-1-en-2-yl-2H-pyrrol-1-yl)-3-fluoropiperidine-2,6-dione
CID 142305948
3-[3-[(Z)-but-2-en-2-yl]-4-(1-fluoroethenyl)-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 142305955
2-[(Z,4S)-4-aminohept-5-enoyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane
CID 143085752
3-(2-fluorocyclohexa-1,5-dien-1-yl)-N-[(2R)-1-[(4E)-3-methylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]propan-2-yl]propanamide
CID 145077816
3-(2-fluorocyclohexa-1,5-dien-1-yl)-N-[(2S)-1-[(4E)-3-methylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]propan-2-yl]propanamide
CID 145077832
3-[3-[(Z)-but-2-en-2-yl]-4-ethenyl-5-oxo-2H-pyrrol-1-yl]-3-fluoropiperidine-2,6-dione
CID 145382042
(3S)-3-[(4Z)-4-[(E)-1-amino-3-fluorobut-2-enylidene]-3-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione
CID 154980430
3-[3-[(1Z)-3-fluorobuta-1,3-dienyl]-4-methyl-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 155468820
3-(5-Fluoro-2-oxo-3,4-dihydrobenzo[cd]indol-1-yl)piperidine-2,6-dione
CID 163258310
3-[2-Oxo-7-(trifluoromethyl)-3,4-dihydrobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 163259020
(3E,4Z)-3-ethylidene-4-(1-fluoroethylidene)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrolidine-2,5-dione
CID 163267810
(3E,4Z)-3-ethylidene-4-(1-fluoropropylidene)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrolidine-2,5-dione
CID 163267951

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(E)-2-fluoroprop-1-enyl]-2-methylidene-5-oxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-6-methylidenepiperidin-2-one?
The IUPAC name of 5-[3-[(E)-2-fluoroprop-1-enyl]-2-methylidene-5-oxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-6-methylidenepiperidin-2-one (CID 171801846) is 5-[3-[(E)-2-fluoroprop-1-enyl]-2-methylidene-5-oxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-6-methylidenepiperidin-2-one.
What is the SMILES notation for 5-[3-[(E)-2-fluoroprop-1-enyl]-2-methylidene-5-oxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-6-methylidenepiperidin-2-one?
The canonical SMILES for 5-[3-[(E)-2-fluoroprop-1-enyl]-2-methylidene-5-oxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-6-methylidenepiperidin-2-one is C=C1NC(=O)CCC1N1C(=C)C(/C=C(\C)F)=C(/C=C\C)C1=O.
What is the InChIKey of 5-[3-[(E)-2-fluoroprop-1-enyl]-2-methylidene-5-oxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-6-methylidenepiperidin-2-one?
The InChIKey is UUIMQZDCPJFANP-MLCWLASSSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-5-6-13-14(9-10(2)18)12(4)20(17(13)22)15-7-8-16(21)19-11(15)3/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,19,21)/b6-5-,10-9+.
What are the key properties of 5-[3-[(E)-2-fluoroprop-1-enyl]-2-methylidene-5-oxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-6-methylidenepiperidin-2-one?
5-[3-[(E)-2-fluoroprop-1-enyl]-2-methylidene-5-oxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-6-methylidenepiperidin-2-one has a molecular weight of 302.35 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(E)-2-fluoroprop-1-enyl]-2-methylidene-5-oxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-6-methylidenepiperidin-2-one is sourced from PubChem (CID 171801846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).