(3E)-2-methylidene-3-prop-2-enylideneoxan-4-one

C9H10O2 — CID 143804503

IUPAC(3E)-2-methylidene-3-prop-2-enylideneoxan-4-one
SMILESC=C/C=C1\C(=C)OCCC1=O
InChIInChI=1S/C9H10O2/c1-3-4-8-7(2)11-6-5-9(8)10/h3-4H,1-2,5-6H2/b8-4+
InChIKeyLKHDFXVLTINCMW-XBXARRHUSA-N
MW150.18 g/mol
LogP1.60
Rot. Bonds1

About (3E)-2-methylidene-3-prop-2-enylideneoxan-4-one

(3E)-2-methylidene-3-prop-2-enylideneoxan-4-one (PubChem CID 143804503) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is (3E)-2-methylidene-3-prop-2-enylideneoxan-4-one.

Molecular Properties

Compound Name(3E)-2-methylidene-3-prop-2-enylideneoxan-4-one
PubChem CID143804503
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name(3E)-2-methylidene-3-prop-2-enylideneoxan-4-one
SMILESC=C/C=C1\C(=C)OCCC1=O
InChIInChI=1S/C9H10O2/c1-3-4-8-7(2)11-6-5-9(8)10/h3-4H,1-2,5-6H2/b8-4+
InChIKeyLKHDFXVLTINCMW-XBXARRHUSA-N
XLogP1.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-2-methylidene-3-prop-2-enylideneoxan-4-one?
The IUPAC name of (3E)-2-methylidene-3-prop-2-enylideneoxan-4-one (CID 143804503) is (3E)-2-methylidene-3-prop-2-enylideneoxan-4-one.
What is the SMILES notation for (3E)-2-methylidene-3-prop-2-enylideneoxan-4-one?
The canonical SMILES for (3E)-2-methylidene-3-prop-2-enylideneoxan-4-one is C=C/C=C1\C(=C)OCCC1=O.
What is the InChIKey of (3E)-2-methylidene-3-prop-2-enylideneoxan-4-one?
The InChIKey is LKHDFXVLTINCMW-XBXARRHUSA-N. The full InChI is InChI=1S/C9H10O2/c1-3-4-8-7(2)11-6-5-9(8)10/h3-4H,1-2,5-6H2/b8-4+.
What are the key properties of (3E)-2-methylidene-3-prop-2-enylideneoxan-4-one?
(3E)-2-methylidene-3-prop-2-enylideneoxan-4-one has a molecular weight of 150.18 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-methylidene-3-prop-2-enylideneoxan-4-one is sourced from PubChem (CID 143804503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).