(4Z)-4-(furan-2-ylmethylidene)-1H-isochromen-3-one

C14H10O3 — CID 11053341

IUPAC(4Z)-4-(furan-2-ylmethylidene)-1H-isochromen-3-one
SMILESO=C1OCc2ccccc2/C1=C/c1ccco1
InChIInChI=1S/C14H10O3/c15-14-13(8-11-5-3-7-16-11)12-6-2-1-4-10(12)9-17-14/h1-8H,9H2/b13-8-
InChIKeySUNRUFPMKYIJDA-JYRVWZFOSA-N
MW226.23 g/mol
LogP2.88
Rot. Bonds1

About (4Z)-4-(furan-2-ylmethylidene)-1H-isochromen-3-one

(4Z)-4-(furan-2-ylmethylidene)-1H-isochromen-3-one (PubChem CID 11053341) has the molecular formula C14H10O3 and a molecular weight of 226.23 g/mol. Its IUPAC name is (4Z)-4-(furan-2-ylmethylidene)-1H-isochromen-3-one.

Molecular Properties

Compound Name(4Z)-4-(furan-2-ylmethylidene)-1H-isochromen-3-one
PubChem CID11053341
Molecular FormulaC14H10O3
Molecular Weight226.23 g/mol
Exact Mass226.06
IUPAC Name(4Z)-4-(furan-2-ylmethylidene)-1H-isochromen-3-one
SMILESO=C1OCc2ccccc2/C1=C/c1ccco1
InChIInChI=1S/C14H10O3/c15-14-13(8-11-5-3-7-16-11)12-6-2-1-4-10(12)9-17-14/h1-8H,9H2/b13-8-
InChIKeySUNRUFPMKYIJDA-JYRVWZFOSA-N
XLogP2.88
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(furan-2-ylmethylidene)isochromene-1,3-dione
CID 587564
(4E)-4-[(2-bromophenyl)methylidene]-1H-isochromen-3-one
CID 11056145
(4Z)-4-(methoxymethylidene)-1H-isochromen-3-one
CID 176896328
(4E)-4-[(3-hydroxyphenyl)methylidene]-1H-isochromen-3-one
CID 10890382
3H-2-benzofuran-1-one;ethane
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sodium;3H-2-benzofuran-1-one;chloride
CID 174937502
2-(furan-2-ylmethylidene)-1H-indol-3-one
CID 677294
(3Z)-3-(furan-2-ylmethylidene)-1-(1-methylpiperidin-4-yl)indol-2-one
CID 6305986
(3E)-1-acetyl-3-(furan-2-ylmethylidene)indol-2-one
CID 10729540
(4E)-3-(furan-2-yl)-4-(furan-2-ylmethylidene)-1,2-oxazol-5-one
CID 671181
(2Z)-2-(furan-2-ylmethylidene)cyclooctan-1-one
CID 177443971
(2E)-2-(furan-2-ylmethylidene)-1,1-dioxo-1-benzothiophen-3-one
CID 117061012

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(furan-2-ylmethylidene)-1H-isochromen-3-one?
The IUPAC name of (4Z)-4-(furan-2-ylmethylidene)-1H-isochromen-3-one (CID 11053341) is (4Z)-4-(furan-2-ylmethylidene)-1H-isochromen-3-one.
What is the SMILES notation for (4Z)-4-(furan-2-ylmethylidene)-1H-isochromen-3-one?
The canonical SMILES for (4Z)-4-(furan-2-ylmethylidene)-1H-isochromen-3-one is O=C1OCc2ccccc2/C1=C/c1ccco1.
What is the InChIKey of (4Z)-4-(furan-2-ylmethylidene)-1H-isochromen-3-one?
The InChIKey is SUNRUFPMKYIJDA-JYRVWZFOSA-N. The full InChI is InChI=1S/C14H10O3/c15-14-13(8-11-5-3-7-16-11)12-6-2-1-4-10(12)9-17-14/h1-8H,9H2/b13-8-.
What are the key properties of (4Z)-4-(furan-2-ylmethylidene)-1H-isochromen-3-one?
(4Z)-4-(furan-2-ylmethylidene)-1H-isochromen-3-one has a molecular weight of 226.23 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(furan-2-ylmethylidene)-1H-isochromen-3-one is sourced from PubChem (CID 11053341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).