(2Z)-2-(1-methoxyethylidene)-4-methylcyclopent-4-ene-1,3-dione

C9H10O3 — CID 12616794

IUPAC(2Z)-2-(1-methoxyethylidene)-4-methylcyclopent-4-ene-1,3-dione
SMILESCO/C(C)=C1/C(=O)C=C(C)C1=O
InChIInChI=1S/C9H10O3/c1-5-4-7(10)8(9(5)11)6(2)12-3/h4H,1-3H3/b8-6-
InChIKeyNWWBYZCVIOMPPU-VURMDHGXSA-N
MW166.18 g/mol
LogP1.00
Rot. Bonds1

About (2Z)-2-(1-methoxyethylidene)-4-methylcyclopent-4-ene-1,3-dione

(2Z)-2-(1-methoxyethylidene)-4-methylcyclopent-4-ene-1,3-dione (PubChem CID 12616794) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is (2Z)-2-(1-methoxyethylidene)-4-methylcyclopent-4-ene-1,3-dione.

Molecular Properties

Compound Name(2Z)-2-(1-methoxyethylidene)-4-methylcyclopent-4-ene-1,3-dione
PubChem CID12616794
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name(2Z)-2-(1-methoxyethylidene)-4-methylcyclopent-4-ene-1,3-dione
SMILESCO/C(C)=C1/C(=O)C=C(C)C1=O
InChIInChI=1S/C9H10O3/c1-5-4-7(10)8(9(5)11)6(2)12-3/h4H,1-3H3/b8-6-
InChIKeyNWWBYZCVIOMPPU-VURMDHGXSA-N
XLogP1.00
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1-methoxyethylidene)-4-methylcyclopent-4-ene-1,3-dione?
The IUPAC name of (2Z)-2-(1-methoxyethylidene)-4-methylcyclopent-4-ene-1,3-dione (CID 12616794) is (2Z)-2-(1-methoxyethylidene)-4-methylcyclopent-4-ene-1,3-dione.
What is the SMILES notation for (2Z)-2-(1-methoxyethylidene)-4-methylcyclopent-4-ene-1,3-dione?
The canonical SMILES for (2Z)-2-(1-methoxyethylidene)-4-methylcyclopent-4-ene-1,3-dione is CO/C(C)=C1/C(=O)C=C(C)C1=O.
What is the InChIKey of (2Z)-2-(1-methoxyethylidene)-4-methylcyclopent-4-ene-1,3-dione?
The InChIKey is NWWBYZCVIOMPPU-VURMDHGXSA-N. The full InChI is InChI=1S/C9H10O3/c1-5-4-7(10)8(9(5)11)6(2)12-3/h4H,1-3H3/b8-6-.
What are the key properties of (2Z)-2-(1-methoxyethylidene)-4-methylcyclopent-4-ene-1,3-dione?
(2Z)-2-(1-methoxyethylidene)-4-methylcyclopent-4-ene-1,3-dione has a molecular weight of 166.18 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1-methoxyethylidene)-4-methylcyclopent-4-ene-1,3-dione is sourced from PubChem (CID 12616794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).