methyl (4Z)-4-(methoxymethylidene)-2-methyl-3-oxocyclopentene-1-carboxylate

C10H12O4 — CID 177494933

IUPACmethyl (4Z)-4-(methoxymethylidene)-2-methyl-3-oxocyclopentene-1-carboxylate
SMILESCO/C=C1/CC(C(=O)OC)=C(C)C1=O
InChIInChI=1S/C10H12O4/c1-6-8(10(12)14-3)4-7(5-13-2)9(6)11/h5H,4H2,1-3H3/b7-5-
InChIKeySWLOQZCGDVNAFP-ALCCZGGFSA-N
MW196.20 g/mol
LogP0.98
Rot. Bonds2

About methyl (4Z)-4-(methoxymethylidene)-2-methyl-3-oxocyclopentene-1-carboxylate

methyl (4Z)-4-(methoxymethylidene)-2-methyl-3-oxocyclopentene-1-carboxylate (PubChem CID 177494933) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is methyl (4Z)-4-(methoxymethylidene)-2-methyl-3-oxocyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl (4Z)-4-(methoxymethylidene)-2-methyl-3-oxocyclopentene-1-carboxylate
PubChem CID177494933
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Namemethyl (4Z)-4-(methoxymethylidene)-2-methyl-3-oxocyclopentene-1-carboxylate
SMILESCO/C=C1/CC(C(=O)OC)=C(C)C1=O
InChIInChI=1S/C10H12O4/c1-6-8(10(12)14-3)4-7(5-13-2)9(6)11/h5H,4H2,1-3H3/b7-5-
InChIKeySWLOQZCGDVNAFP-ALCCZGGFSA-N
XLogP0.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl 3-oxocyclopent-1-enecarboxylate
CID 11029917
Methyl 2-(2-methylidene-5-oxohexyl)-4-oxocyclohexene-1-carboxylate
CID 71506515
Methyl 2-methyl-3-oxocyclopent-1-ene-1-carboxylate
CID 227457
Methyl 5-oxocycloheptene-1-carboxylate
CID 46187211
(5S)-5-Methyl-3-(3-oxooctyl)furan-2(5H)-one
CID 71353666
Ethyl 5-oxocycloheptene-1-carboxylate
CID 85881647
Ethyl 3-Oxo-1-cyclopentenecarboxylate
CID 85964472
Propyl 3-oxocyclopent-1-enecarboxylate
CID 102436268
Dicarbethoxycyclopentenone
CID 129812242
methyl (2Z)-2-heptylidene-5-oxodecanoate
CID 134999952
methyl (Z)-2-(3-oxobutyl)non-2-enoate
CID 135001285
methyl (2Z)-2-ethylidene-5-oxohexanoate
CID 135001286

Frequently Asked Questions

What is the IUPAC name of methyl (4Z)-4-(methoxymethylidene)-2-methyl-3-oxocyclopentene-1-carboxylate?
The IUPAC name of methyl (4Z)-4-(methoxymethylidene)-2-methyl-3-oxocyclopentene-1-carboxylate (CID 177494933) is methyl (4Z)-4-(methoxymethylidene)-2-methyl-3-oxocyclopentene-1-carboxylate.
What is the SMILES notation for methyl (4Z)-4-(methoxymethylidene)-2-methyl-3-oxocyclopentene-1-carboxylate?
The canonical SMILES for methyl (4Z)-4-(methoxymethylidene)-2-methyl-3-oxocyclopentene-1-carboxylate is CO/C=C1/CC(C(=O)OC)=C(C)C1=O.
What is the InChIKey of methyl (4Z)-4-(methoxymethylidene)-2-methyl-3-oxocyclopentene-1-carboxylate?
The InChIKey is SWLOQZCGDVNAFP-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H12O4/c1-6-8(10(12)14-3)4-7(5-13-2)9(6)11/h5H,4H2,1-3H3/b7-5-.
What are the key properties of methyl (4Z)-4-(methoxymethylidene)-2-methyl-3-oxocyclopentene-1-carboxylate?
methyl (4Z)-4-(methoxymethylidene)-2-methyl-3-oxocyclopentene-1-carboxylate has a molecular weight of 196.20 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4Z)-4-(methoxymethylidene)-2-methyl-3-oxocyclopentene-1-carboxylate is sourced from PubChem (CID 177494933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).