3,4-bis(ethenyl)-1-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]pyrrole-2,5-dione

C15H14FNO2 — CID 145278712

IUPAC3,4-bis(ethenyl)-1-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]pyrrole-2,5-dione
SMILESC=CC1=C(C=C)C(=O)N(C/C(C=C)=C/C(=C)F)C1=O
InChIInChI=1S/C15H14FNO2/c1-5-11(8-10(4)16)9-17-14(18)12(6-2)13(7-3)15(17)19/h5-8H,1-4,9H2/b11-8+
InChIKeyPJJWKTTVFARXHT-DHZHZOJOSA-N
MW259.28 g/mol
LogP2.62
Rot. Bonds6

About 3,4-bis(ethenyl)-1-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]pyrrole-2,5-dione

3,4-bis(ethenyl)-1-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]pyrrole-2,5-dione (PubChem CID 145278712) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-1-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-bis(ethenyl)-1-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]pyrrole-2,5-dione
PubChem CID145278712
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name3,4-bis(ethenyl)-1-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]pyrrole-2,5-dione
SMILESC=CC1=C(C=C)C(=O)N(C/C(C=C)=C/C(=C)F)C1=O
InChIInChI=1S/C15H14FNO2/c1-5-11(8-10(4)16)9-17-14(18)12(6-2)13(7-3)15(17)19/h5-8H,1-4,9H2/b11-8+
InChIKeyPJJWKTTVFARXHT-DHZHZOJOSA-N
XLogP2.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3,4-Dimethyl-1-pent-4-enylpyrrole-2,5-dione
CID 15866153
1-Allyl-3,4-dimethyl-pyrrol-2,5-dione
CID 20141232
1-ethyl-3-(2-fluoroethenyl)-4-(1-fluoroprop-1-enyl)-2H-pyrrol-5-one
CID 91269404
3-ethenyl-4-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one
CID 142365548
4-ethenyl-3-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one
CID 142367669
3-[(E)-1-fluorobut-1-enyl]-1,4-dimethyl-2H-pyrrol-5-one
CID 155031148
4-[(Z)-3-fluoroprop-1-enyl]-1-methyl-3-prop-2-enyl-2H-pyrrol-5-one
CID 155031403
1-[(Z)-2-fluoro-3-[1-(2-fluoroprop-2-enoyl)-2,5-dihydropyrrol-3-yl]prop-2-enoyl]pyrrole-2,5-dione
CID 166881557
3-[(Z)-1-fluoroprop-1-enyl]-1-methylpyrrole-2,5-dione
CID 20686788
3-(1-Fluoroprop-1-enyl)-1-methylpyrrole-2,5-dione
CID 20686793
4-(1-fluoroethenyl)-1,3-dimethyl-2H-pyrrol-5-one
CID 142390297
4-[(1E)-2-fluorobuta-1,3-dienyl]-1,3-dimethyl-2H-pyrrol-5-one
CID 142390331

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)-1-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]pyrrole-2,5-dione?
The IUPAC name of 3,4-bis(ethenyl)-1-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]pyrrole-2,5-dione (CID 145278712) is 3,4-bis(ethenyl)-1-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]pyrrole-2,5-dione.
What is the SMILES notation for 3,4-bis(ethenyl)-1-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]pyrrole-2,5-dione?
The canonical SMILES for 3,4-bis(ethenyl)-1-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]pyrrole-2,5-dione is C=CC1=C(C=C)C(=O)N(C/C(C=C)=C/C(=C)F)C1=O.
What is the InChIKey of 3,4-bis(ethenyl)-1-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]pyrrole-2,5-dione?
The InChIKey is PJJWKTTVFARXHT-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-5-11(8-10(4)16)9-17-14(18)12(6-2)13(7-3)15(17)19/h5-8H,1-4,9H2/b11-8+.
What are the key properties of 3,4-bis(ethenyl)-1-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]pyrrole-2,5-dione?
3,4-bis(ethenyl)-1-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]pyrrole-2,5-dione has a molecular weight of 259.28 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)-1-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]pyrrole-2,5-dione is sourced from PubChem (CID 145278712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).