(3E)-5-(cyclobutadienyl)-3-(cyclopenta-2,4-dien-1-ylmethylidene)furan-2-one

C14H10O2 — CID 163565443

IUPAC(3E)-5-(cyclobutadienyl)-3-(cyclopenta-2,4-dien-1-ylmethylidene)furan-2-one
SMILESO=C1OC(C2=CC=C2)=C/C1=C\C1C=CC=C1
InChIInChI=1S/C14H10O2/c15-14-12(8-10-4-1-2-5-10)9-13(16-14)11-6-3-7-11/h1-10H/b12-8+
InChIKeyFUUGMDXVOSJCRY-XYOKQWHBSA-N
MW210.23 g/mol
LogP2.59
Rot. Bonds2

About (3E)-5-(cyclobutadienyl)-3-(cyclopenta-2,4-dien-1-ylmethylidene)furan-2-one

(3E)-5-(cyclobutadienyl)-3-(cyclopenta-2,4-dien-1-ylmethylidene)furan-2-one (PubChem CID 163565443) has the molecular formula C14H10O2 and a molecular weight of 210.23 g/mol. Its IUPAC name is (3E)-5-(cyclobutadienyl)-3-(cyclopenta-2,4-dien-1-ylmethylidene)furan-2-one.

Molecular Properties

Compound Name(3E)-5-(cyclobutadienyl)-3-(cyclopenta-2,4-dien-1-ylmethylidene)furan-2-one
PubChem CID163565443
Molecular FormulaC14H10O2
Molecular Weight210.23 g/mol
Exact Mass210.07
IUPAC Name(3E)-5-(cyclobutadienyl)-3-(cyclopenta-2,4-dien-1-ylmethylidene)furan-2-one
SMILESO=C1OC(C2=CC=C2)=C/C1=C\C1C=CC=C1
InChIInChI=1S/C14H10O2/c15-14-12(8-10-4-1-2-5-10)9-13(16-14)11-6-3-7-11/h1-10H/b12-8+
InChIKeyFUUGMDXVOSJCRY-XYOKQWHBSA-N
XLogP2.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-[[4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]phenyl]methylidene]-5-phenylfuran-2-one
CID 11984182
(3E)-3-[(4-fluorophenyl)methylidene]-5-phenylfuran-2-one
CID 5394659
(3E)-3-(dimethylaminomethylidene)-5-phenylfuran-2-one
CID 762462
5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one
CID 3120316
(3E)-3-[(2-fluorophenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 20831470
(3E)-3-(anthracen-9-ylmethylidene)-5-(4-phenylphenyl)furan-2-one
CID 11091173
4-butylidene-3,3a-dihydro-2-benzofuran-1-one
CID 141056334
(3Z)-3-[(2-hydroxyphenyl)methylidene]-5-phenylfuran-2-one
CID 6272528
5-[(Z)-cyclobut-2-en-1-ylidenemethyl]cyclopenta-1,3-diene
CID 163468986
3-[(2-bromophenyl)methylidene]-5-phenylfuran-2-one
CID 888387
5-(4-methoxyphenyl)-3-(pyridin-4-ylmethylidene)furan-2-one
CID 795137
(3E)-5-(4-methoxyphenyl)-3-[(5-methylfuran-2-yl)methylidene]furan-2-one
CID 750908

Frequently Asked Questions

What is the IUPAC name of (3E)-5-(cyclobutadienyl)-3-(cyclopenta-2,4-dien-1-ylmethylidene)furan-2-one?
The IUPAC name of (3E)-5-(cyclobutadienyl)-3-(cyclopenta-2,4-dien-1-ylmethylidene)furan-2-one (CID 163565443) is (3E)-5-(cyclobutadienyl)-3-(cyclopenta-2,4-dien-1-ylmethylidene)furan-2-one.
What is the SMILES notation for (3E)-5-(cyclobutadienyl)-3-(cyclopenta-2,4-dien-1-ylmethylidene)furan-2-one?
The canonical SMILES for (3E)-5-(cyclobutadienyl)-3-(cyclopenta-2,4-dien-1-ylmethylidene)furan-2-one is O=C1OC(C2=CC=C2)=C/C1=C\C1C=CC=C1.
What is the InChIKey of (3E)-5-(cyclobutadienyl)-3-(cyclopenta-2,4-dien-1-ylmethylidene)furan-2-one?
The InChIKey is FUUGMDXVOSJCRY-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H10O2/c15-14-12(8-10-4-1-2-5-10)9-13(16-14)11-6-3-7-11/h1-10H/b12-8+.
What are the key properties of (3E)-5-(cyclobutadienyl)-3-(cyclopenta-2,4-dien-1-ylmethylidene)furan-2-one?
(3E)-5-(cyclobutadienyl)-3-(cyclopenta-2,4-dien-1-ylmethylidene)furan-2-one has a molecular weight of 210.23 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-(cyclobutadienyl)-3-(cyclopenta-2,4-dien-1-ylmethylidene)furan-2-one is sourced from PubChem (CID 163565443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).