5-formyl-2-methoxycyclopentene-1-carboxylate

C8H9O4- — CID 20556722

IUPAC5-formyl-2-methoxycyclopentene-1-carboxylate
SMILESCOC1=C(C(=O)[O-])C(C=O)CC1
InChIInChI=1S/C8H10O4/c1-12-6-3-2-5(4-9)7(6)8(10)11/h4-5H,2-3H2,1H3,(H,10,11)/p-1
InChIKeyOPIRSGNMPNUPLQ-UHFFFAOYSA-M
MW169.16 g/mol
LogP-0.75
Rot. Bonds3

About 5-formyl-2-methoxycyclopentene-1-carboxylate

5-formyl-2-methoxycyclopentene-1-carboxylate (PubChem CID 20556722) has the molecular formula C8H9O4- and a molecular weight of 169.16 g/mol. Its IUPAC name is 5-formyl-2-methoxycyclopentene-1-carboxylate.

Molecular Properties

Compound Name5-formyl-2-methoxycyclopentene-1-carboxylate
PubChem CID20556722
Molecular FormulaC8H9O4-
Molecular Weight169.16 g/mol
Exact Mass169.05
IUPAC Name5-formyl-2-methoxycyclopentene-1-carboxylate
SMILESCOC1=C(C(=O)[O-])C(C=O)CC1
InChIInChI=1S/C8H10O4/c1-12-6-3-2-5(4-9)7(6)8(10)11/h4-5H,2-3H2,1H3,(H,10,11)/p-1
InChIKeyOPIRSGNMPNUPLQ-UHFFFAOYSA-M
XLogP-0.75
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 5-0.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (5RS) 2-methoxy-5-formyl-1-cyclopentene-carboxylate
CID 13194899
5-Formyl-2-methoxycyclopentene-1-carboxylic acid
CID 20556723
(5S)-5-formyl-2-methoxycyclopentene-1-carboxylic acid
CID 88770196
Methyl 4-formyl-2-methylcyclobutene-1-carboxylate
CID 122535945
(2-Formyl-5-methylcyclopenten-1-yl) acetate
CID 174333143

Frequently Asked Questions

What is the IUPAC name of 5-formyl-2-methoxycyclopentene-1-carboxylate?
The IUPAC name of 5-formyl-2-methoxycyclopentene-1-carboxylate (CID 20556722) is 5-formyl-2-methoxycyclopentene-1-carboxylate.
What is the SMILES notation for 5-formyl-2-methoxycyclopentene-1-carboxylate?
The canonical SMILES for 5-formyl-2-methoxycyclopentene-1-carboxylate is COC1=C(C(=O)[O-])C(C=O)CC1.
What is the InChIKey of 5-formyl-2-methoxycyclopentene-1-carboxylate?
The InChIKey is OPIRSGNMPNUPLQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H10O4/c1-12-6-3-2-5(4-9)7(6)8(10)11/h4-5H,2-3H2,1H3,(H,10,11)/p-1.
What are the key properties of 5-formyl-2-methoxycyclopentene-1-carboxylate?
5-formyl-2-methoxycyclopentene-1-carboxylate has a molecular weight of 169.16 g/mol, XLogP of -0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-2-methoxycyclopentene-1-carboxylate is sourced from PubChem (CID 20556722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).