(2Z)-2-propylidene-1,3-benzodioxin-4-one

C11H10O3 — CID 142022031

IUPAC(2Z)-2-propylidene-1,3-benzodioxin-4-one
SMILESCC/C=C1\OC(=O)c2ccccc2O1
InChIInChI=1S/C11H10O3/c1-2-5-10-13-9-7-4-3-6-8(9)11(12)14-10/h3-7H,2H2,1H3/b10-5-
InChIKeyYCAIBHAGMXLPPP-YHYXMXQVSA-N
MW190.20 g/mol
LogP2.49
Rot. Bonds1

About (2Z)-2-propylidene-1,3-benzodioxin-4-one

(2Z)-2-propylidene-1,3-benzodioxin-4-one (PubChem CID 142022031) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is (2Z)-2-propylidene-1,3-benzodioxin-4-one.

Molecular Properties

Compound Name(2Z)-2-propylidene-1,3-benzodioxin-4-one
PubChem CID142022031
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name(2Z)-2-propylidene-1,3-benzodioxin-4-one
SMILESCC/C=C1\OC(=O)c2ccccc2O1
InChIInChI=1S/C11H10O3/c1-2-5-10-13-9-7-4-3-6-8(9)11(12)14-10/h3-7H,2H2,1H3/b10-5-
InChIKeyYCAIBHAGMXLPPP-YHYXMXQVSA-N
XLogP2.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-propylidene-1-benzofuran-2-one
CID 141094787
benzene;bis(2-benzofuran-1,3-dione);propane
CID 157076955
2-benzofuran-1,3-dione;ethane;propane
CID 91608967
azane;2-benzofuran-1,3-dione;butane
CID 173276940
benzene;2-benzofuran-1,3-dione;ethane;propane
CID 158385205
2-benzofuran-1,3-dione;ethane;methane;propane
CID 159420512
(4R)-4-ethyl-4H-isochromene-1,3-dione
CID 98468505
bis(2-benzofuran-1,3-dione);ethane
CID 143680396
(3Z)-3-butylidene-2-benzofuran-1-one;ethane
CID 143103273
azane;3-butylidene-2-benzofuran-1-one
CID 174279522
2-benzofuran-1,3-dione
CID 123741998
2-benzofuran-1,3-dione
CID 163894732

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-propylidene-1,3-benzodioxin-4-one?
The IUPAC name of (2Z)-2-propylidene-1,3-benzodioxin-4-one (CID 142022031) is (2Z)-2-propylidene-1,3-benzodioxin-4-one.
What is the SMILES notation for (2Z)-2-propylidene-1,3-benzodioxin-4-one?
The canonical SMILES for (2Z)-2-propylidene-1,3-benzodioxin-4-one is CC/C=C1\OC(=O)c2ccccc2O1.
What is the InChIKey of (2Z)-2-propylidene-1,3-benzodioxin-4-one?
The InChIKey is YCAIBHAGMXLPPP-YHYXMXQVSA-N. The full InChI is InChI=1S/C11H10O3/c1-2-5-10-13-9-7-4-3-6-8(9)11(12)14-10/h3-7H,2H2,1H3/b10-5-.
What are the key properties of (2Z)-2-propylidene-1,3-benzodioxin-4-one?
(2Z)-2-propylidene-1,3-benzodioxin-4-one has a molecular weight of 190.20 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-propylidene-1,3-benzodioxin-4-one is sourced from PubChem (CID 142022031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).