(3E)-8-methyl-4-methylidene-3-prop-2-enylideneisochromen-1-one

C14H12O2 — CID 144886948

IUPAC(3E)-8-methyl-4-methylidene-3-prop-2-enylideneisochromen-1-one
SMILESC=C/C=c1/oc(=O)c2c(C)cccc2c1=C
InChIInChI=1S/C14H12O2/c1-4-6-12-10(3)11-8-5-7-9(2)13(11)14(15)16-12/h4-8H,1,3H2,2H3/b12-6+
InChIKeyQIQZIMNEQAWAGD-WUXMJOGZSA-N
MW212.25 g/mol
LogP1.48
Rot. Bonds1

About (3E)-8-methyl-4-methylidene-3-prop-2-enylideneisochromen-1-one

(3E)-8-methyl-4-methylidene-3-prop-2-enylideneisochromen-1-one (PubChem CID 144886948) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is (3E)-8-methyl-4-methylidene-3-prop-2-enylideneisochromen-1-one.

Molecular Properties

Compound Name(3E)-8-methyl-4-methylidene-3-prop-2-enylideneisochromen-1-one
PubChem CID144886948
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name(3E)-8-methyl-4-methylidene-3-prop-2-enylideneisochromen-1-one
SMILESC=C/C=c1/oc(=O)c2c(C)cccc2c1=C
InChIInChI=1S/C14H12O2/c1-4-6-12-10(3)11-8-5-7-9(2)13(11)14(15)16-12/h4-8H,1,3H2,2H3/b12-6+
InChIKeyQIQZIMNEQAWAGD-WUXMJOGZSA-N
XLogP1.48
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3,4-diethyl-8-methylisochromen-1-one
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5-methylidene-6-prop-2-enylidenepyran-2-one
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1-methylcyclohexa-1,3-diene;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran;prop-1-ene
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4-methylidene-3-prop-2-enylidene-2,1-benzoxaphosphinin-1-ium 1-oxide
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(1E)-5-methyl-2-methylidene-1-prop-2-enylidenenaphthalene
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(2E)-6-(4-ethyl-3-methylphenyl)-3-methylidene-2-prop-2-enylidenepyran-4-one
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(5Z,6E)-5-[(Z)-but-2-enylidene]-3-methyl-6-prop-2-enylidenepyran-2-one
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7-(methylamino)-3-[4-[(6E)-5-methylidene-2-oxo-6-prop-2-enylidenepyran-3-yl]naphthalen-1-yl]chromen-2-one
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6-methyl-5H-[1]benzofuro[3,2-b]quinolin-11-one
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CID 102264978

Frequently Asked Questions

What is the IUPAC name of (3E)-8-methyl-4-methylidene-3-prop-2-enylideneisochromen-1-one?
The IUPAC name of (3E)-8-methyl-4-methylidene-3-prop-2-enylideneisochromen-1-one (CID 144886948) is (3E)-8-methyl-4-methylidene-3-prop-2-enylideneisochromen-1-one.
What is the SMILES notation for (3E)-8-methyl-4-methylidene-3-prop-2-enylideneisochromen-1-one?
The canonical SMILES for (3E)-8-methyl-4-methylidene-3-prop-2-enylideneisochromen-1-one is C=C/C=c1/oc(=O)c2c(C)cccc2c1=C.
What is the InChIKey of (3E)-8-methyl-4-methylidene-3-prop-2-enylideneisochromen-1-one?
The InChIKey is QIQZIMNEQAWAGD-WUXMJOGZSA-N. The full InChI is InChI=1S/C14H12O2/c1-4-6-12-10(3)11-8-5-7-9(2)13(11)14(15)16-12/h4-8H,1,3H2,2H3/b12-6+.
What are the key properties of (3E)-8-methyl-4-methylidene-3-prop-2-enylideneisochromen-1-one?
(3E)-8-methyl-4-methylidene-3-prop-2-enylideneisochromen-1-one has a molecular weight of 212.25 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-8-methyl-4-methylidene-3-prop-2-enylideneisochromen-1-one is sourced from PubChem (CID 144886948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).