ethene;3-[(E)-2-fluorobut-1-en-3-ynyl]-4-methylpyrrole-2,5-dione;(Z)-3-methylhex-2-ene

C18H24FNO2 — CID 142133460

IUPACethene;3-[(E)-2-fluorobut-1-en-3-ynyl]-4-methylpyrrole-2,5-dione;(Z)-3-methylhex-2-ene
SMILESC#C/C(F)=C\C1=C(C)C(=O)NC1=O.C/C=C(/C)CCC.C=C
InChIInChI=1S/C9H6FNO2.C7H14.C2H4/c1-3-6(10)4-7-5(2)8(12)11-9(7)13;1-4-6-7(3)5-2;1-2/h1,4H,2H3,(H,11,12,13);5H,4,6H2,1-3H3;1-2H2/b6-4+;7-5-;
InChIKeyKNHMYEQSBLVUSZ-CMRULNJJSA-N
MW305.39 g/mol
LogP4.00
Rot. Bonds3

About ethene;3-[(E)-2-fluorobut-1-en-3-ynyl]-4-methylpyrrole-2,5-dione;(Z)-3-methylhex-2-ene

ethene;3-[(E)-2-fluorobut-1-en-3-ynyl]-4-methylpyrrole-2,5-dione;(Z)-3-methylhex-2-ene (PubChem CID 142133460) has the molecular formula C18H24FNO2 and a molecular weight of 305.39 g/mol. Its IUPAC name is ethene;3-[(E)-2-fluorobut-1-en-3-ynyl]-4-methylpyrrole-2,5-dione;(Z)-3-methylhex-2-ene.

Molecular Properties

Compound Nameethene;3-[(E)-2-fluorobut-1-en-3-ynyl]-4-methylpyrrole-2,5-dione;(Z)-3-methylhex-2-ene
PubChem CID142133460
Molecular FormulaC18H24FNO2
Molecular Weight305.39 g/mol
Exact Mass305.18
IUPAC Nameethene;3-[(E)-2-fluorobut-1-en-3-ynyl]-4-methylpyrrole-2,5-dione;(Z)-3-methylhex-2-ene
SMILESC#C/C(F)=C\C1=C(C)C(=O)NC1=O.C/C=C(/C)CCC.C=C
InChIInChI=1S/C9H6FNO2.C7H14.C2H4/c1-3-6(10)4-7-5(2)8(12)11-9(7)13;1-4-6-7(3)5-2;1-2/h1,4H,2H3,(H,11,12,13);5H,4,6H2,1-3H3;1-2H2/b6-4+;7-5-;
InChIKeyKNHMYEQSBLVUSZ-CMRULNJJSA-N
XLogP4.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;3-[(E)-2-fluorobut-1-en-3-ynyl]-4-methylpyrrole-2,5-dione;(Z)-3-methylhex-2-ene?
The IUPAC name of ethene;3-[(E)-2-fluorobut-1-en-3-ynyl]-4-methylpyrrole-2,5-dione;(Z)-3-methylhex-2-ene (CID 142133460) is ethene;3-[(E)-2-fluorobut-1-en-3-ynyl]-4-methylpyrrole-2,5-dione;(Z)-3-methylhex-2-ene.
What is the SMILES notation for ethene;3-[(E)-2-fluorobut-1-en-3-ynyl]-4-methylpyrrole-2,5-dione;(Z)-3-methylhex-2-ene?
The canonical SMILES for ethene;3-[(E)-2-fluorobut-1-en-3-ynyl]-4-methylpyrrole-2,5-dione;(Z)-3-methylhex-2-ene is C#C/C(F)=C\C1=C(C)C(=O)NC1=O.C/C=C(/C)CCC.C=C.
What is the InChIKey of ethene;3-[(E)-2-fluorobut-1-en-3-ynyl]-4-methylpyrrole-2,5-dione;(Z)-3-methylhex-2-ene?
The InChIKey is KNHMYEQSBLVUSZ-CMRULNJJSA-N. The full InChI is InChI=1S/C9H6FNO2.C7H14.C2H4/c1-3-6(10)4-7-5(2)8(12)11-9(7)13;1-4-6-7(3)5-2;1-2/h1,4H,2H3,(H,11,12,13);5H,4,6H2,1-3H3;1-2H2/b6-4+;7-5-;.
What are the key properties of ethene;3-[(E)-2-fluorobut-1-en-3-ynyl]-4-methylpyrrole-2,5-dione;(Z)-3-methylhex-2-ene?
ethene;3-[(E)-2-fluorobut-1-en-3-ynyl]-4-methylpyrrole-2,5-dione;(Z)-3-methylhex-2-ene has a molecular weight of 305.39 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;3-[(E)-2-fluorobut-1-en-3-ynyl]-4-methylpyrrole-2,5-dione;(Z)-3-methylhex-2-ene is sourced from PubChem (CID 142133460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).