3,4-bis(ethenyl)-5-methylidenecyclopent-3-ene-1,2-dione

C10H8O2 — CID 178047667

IUPAC3,4-bis(ethenyl)-5-methylidenecyclopent-3-ene-1,2-dione
SMILESC=CC1=C(C=C)C(=O)C(=O)C1=C
InChIInChI=1S/C10H8O2/c1-4-7-6(3)9(11)10(12)8(7)5-2/h4-5H,1-3H2
InChIKeyCJOIKSABCNLZFK-UHFFFAOYSA-N
MW160.17 g/mol
LogP1.36
Rot. Bonds2

About 3,4-bis(ethenyl)-5-methylidenecyclopent-3-ene-1,2-dione

3,4-bis(ethenyl)-5-methylidenecyclopent-3-ene-1,2-dione (PubChem CID 178047667) has the molecular formula C10H8O2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-5-methylidenecyclopent-3-ene-1,2-dione.

Molecular Properties

Compound Name3,4-bis(ethenyl)-5-methylidenecyclopent-3-ene-1,2-dione
PubChem CID178047667
Molecular FormulaC10H8O2
Molecular Weight160.17 g/mol
Exact Mass160.05
IUPAC Name3,4-bis(ethenyl)-5-methylidenecyclopent-3-ene-1,2-dione
SMILESC=CC1=C(C=C)C(=O)C(=O)C1=C
InChIInChI=1S/C10H8O2/c1-4-7-6(3)9(11)10(12)8(7)5-2/h4-5H,1-3H2
InChIKeyCJOIKSABCNLZFK-UHFFFAOYSA-N
XLogP1.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,3,5,6-tetrakis(ethenyl)cyclohexa-2,5-diene-1,4-dione
CID 139417142
(5E)-5-[(Z)-but-2-enylidene]-2-ethenyl-6-methylidene-3-[(Z)-prop-1-enyl]cyclohex-2-ene-1,4-dione;ethane
CID 144875528
(5E,6E)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-5,6-di(ethylidene)cyclohex-2-ene-1,4-dione
CID 131990748
3,4-bis(ethenyl)-1-methyl-5-methylidenepyrrol-2-one
CID 143303962
4-amino-3-ethenyl-1-methyl-5-methylidenepyrrol-2-one
CID 146758460
2-[2,3-bis(ethenyl)-4-oxonaphthalen-1-ylidene]propanedinitrile
CID 145410467
1-ethenyl-4-methoxybenzene;3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-dione
CID 139092302
6,7-bis(ethenyl)heptacyclo[20.3.1.02,11.04,9.012,25.015,24.018,23]hexacosa-1(26),2,4(9),6,10,12(25),13,15(24),16,18(23),19,21-dodecaene-5,8-dione
CID 123332779
ethane;3-ethenyl-4-methylpyrrole-2,5-dione;prop-1-ene
CID 145336115
1-(3-bicyclo[3.1.0]hexanyl)-3,4-bis(ethenyl)pyrrole-2,5-dione
CID 142338376
2-ethenyl-3-(methylideneamino)cyclohex-2-en-1-one
CID 144648325
3-chloro-5-ethenyl-1H-pyridin-2-one
CID 74892681

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)-5-methylidenecyclopent-3-ene-1,2-dione?
The IUPAC name of 3,4-bis(ethenyl)-5-methylidenecyclopent-3-ene-1,2-dione (CID 178047667) is 3,4-bis(ethenyl)-5-methylidenecyclopent-3-ene-1,2-dione.
What is the SMILES notation for 3,4-bis(ethenyl)-5-methylidenecyclopent-3-ene-1,2-dione?
The canonical SMILES for 3,4-bis(ethenyl)-5-methylidenecyclopent-3-ene-1,2-dione is C=CC1=C(C=C)C(=O)C(=O)C1=C.
What is the InChIKey of 3,4-bis(ethenyl)-5-methylidenecyclopent-3-ene-1,2-dione?
The InChIKey is CJOIKSABCNLZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2/c1-4-7-6(3)9(11)10(12)8(7)5-2/h4-5H,1-3H2.
What are the key properties of 3,4-bis(ethenyl)-5-methylidenecyclopent-3-ene-1,2-dione?
3,4-bis(ethenyl)-5-methylidenecyclopent-3-ene-1,2-dione has a molecular weight of 160.17 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)-5-methylidenecyclopent-3-ene-1,2-dione is sourced from PubChem (CID 178047667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).