(3-oxocyclohexen-1-yl) cyclopropanecarboxylate

C10H12O3 — CID 10329923

IUPAC(3-oxocyclohexen-1-yl) cyclopropanecarboxylate
SMILESO=C1C=C(OC(=O)C2CC2)CCC1
InChIInChI=1S/C10H12O3/c11-8-2-1-3-9(6-8)13-10(12)7-4-5-7/h6-7H,1-5H2
InChIKeyPIYBFCTTYBXPRU-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.58
Rot. Bonds2

About (3-oxocyclohexen-1-yl) cyclopropanecarboxylate

(3-oxocyclohexen-1-yl) cyclopropanecarboxylate (PubChem CID 10329923) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (3-oxocyclohexen-1-yl) cyclopropanecarboxylate.

Molecular Properties

Compound Name(3-oxocyclohexen-1-yl) cyclopropanecarboxylate
PubChem CID10329923
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(3-oxocyclohexen-1-yl) cyclopropanecarboxylate
SMILESO=C1C=C(OC(=O)C2CC2)CCC1
InChIInChI=1S/C10H12O3/c11-8-2-1-3-9(6-8)13-10(12)7-4-5-7/h6-7H,1-5H2
InChIKeyPIYBFCTTYBXPRU-UHFFFAOYSA-N
XLogP1.58
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-oxocyclohexen-1-yl) cyclopropanecarboxylate?
The IUPAC name of (3-oxocyclohexen-1-yl) cyclopropanecarboxylate (CID 10329923) is (3-oxocyclohexen-1-yl) cyclopropanecarboxylate.
What is the SMILES notation for (3-oxocyclohexen-1-yl) cyclopropanecarboxylate?
The canonical SMILES for (3-oxocyclohexen-1-yl) cyclopropanecarboxylate is O=C1C=C(OC(=O)C2CC2)CCC1.
What is the InChIKey of (3-oxocyclohexen-1-yl) cyclopropanecarboxylate?
The InChIKey is PIYBFCTTYBXPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c11-8-2-1-3-9(6-8)13-10(12)7-4-5-7/h6-7H,1-5H2.
What are the key properties of (3-oxocyclohexen-1-yl) cyclopropanecarboxylate?
(3-oxocyclohexen-1-yl) cyclopropanecarboxylate has a molecular weight of 180.20 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxocyclohexen-1-yl) cyclopropanecarboxylate is sourced from PubChem (CID 10329923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).