(5E)-5-ethylidene-3-methoxy-4-methylidenecyclopent-2-en-1-one

C9H10O2 — CID 12033466

IUPAC(5E)-5-ethylidene-3-methoxy-4-methylidenecyclopent-2-en-1-one
SMILESC=C1C(OC)=CC(=O)/C1=C/C
InChIInChI=1S/C9H10O2/c1-4-7-6(2)9(11-3)5-8(7)10/h4-5H,2H2,1,3H3/b7-4+
InChIKeyJCSGKZVKMCVKKJ-QPJJXVBHSA-N
MW150.18 g/mol
LogP1.60
Rot. Bonds1

About (5E)-5-ethylidene-3-methoxy-4-methylidenecyclopent-2-en-1-one

(5E)-5-ethylidene-3-methoxy-4-methylidenecyclopent-2-en-1-one (PubChem CID 12033466) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is (5E)-5-ethylidene-3-methoxy-4-methylidenecyclopent-2-en-1-one.

Molecular Properties

Compound Name(5E)-5-ethylidene-3-methoxy-4-methylidenecyclopent-2-en-1-one
PubChem CID12033466
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name(5E)-5-ethylidene-3-methoxy-4-methylidenecyclopent-2-en-1-one
SMILESC=C1C(OC)=CC(=O)/C1=C/C
InChIInChI=1S/C9H10O2/c1-4-7-6(2)9(11-3)5-8(7)10/h4-5H,2H2,1,3H3/b7-4+
InChIKeyJCSGKZVKMCVKKJ-QPJJXVBHSA-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 (5E)-5-ethylidene-3-methoxy-4-methylidenecyclopent-2-en-1-one?
The IUPAC name of (5E)-5-ethylidene-3-methoxy-4-methylidenecyclopent-2-en-1-one (CID 12033466) is (5E)-5-ethylidene-3-methoxy-4-methylidenecyclopent-2-en-1-one.
What is the SMILES notation for (5E)-5-ethylidene-3-methoxy-4-methylidenecyclopent-2-en-1-one?
The canonical SMILES for (5E)-5-ethylidene-3-methoxy-4-methylidenecyclopent-2-en-1-one is C=C1C(OC)=CC(=O)/C1=C/C.
What is the InChIKey of (5E)-5-ethylidene-3-methoxy-4-methylidenecyclopent-2-en-1-one?
The InChIKey is JCSGKZVKMCVKKJ-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H10O2/c1-4-7-6(2)9(11-3)5-8(7)10/h4-5H,2H2,1,3H3/b7-4+.
What are the key properties of (5E)-5-ethylidene-3-methoxy-4-methylidenecyclopent-2-en-1-one?
(5E)-5-ethylidene-3-methoxy-4-methylidenecyclopent-2-en-1-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 (5E)-5-ethylidene-3-methoxy-4-methylidenecyclopent-2-en-1-one is sourced from PubChem (CID 12033466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).