2-cyclopropyloxan-4-one

C8H12O2 — CID 20569293

IUPAC2-cyclopropyloxan-4-one
SMILESO=C1CCOC(C2CC2)C1
InChIInChI=1S/C8H12O2/c9-7-3-4-10-8(5-7)6-1-2-6/h6,8H,1-5H2
InChIKeyHHMHCKIAEBFNHY-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.14
Rot. Bonds1

About 2-cyclopropyloxan-4-one

2-cyclopropyloxan-4-one (PubChem CID 20569293) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-cyclopropyloxan-4-one.

Molecular Properties

Compound Name2-cyclopropyloxan-4-one
PubChem CID20569293
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-cyclopropyloxan-4-one
SMILESO=C1CCOC(C2CC2)C1
InChIInChI=1S/C8H12O2/c9-7-3-4-10-8(5-7)6-1-2-6/h6,8H,1-5H2
InChIKeyHHMHCKIAEBFNHY-UHFFFAOYSA-N
XLogP1.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyloxan-4-one?
The IUPAC name of 2-cyclopropyloxan-4-one (CID 20569293) is 2-cyclopropyloxan-4-one.
What is the SMILES notation for 2-cyclopropyloxan-4-one?
The canonical SMILES for 2-cyclopropyloxan-4-one is O=C1CCOC(C2CC2)C1.
What is the InChIKey of 2-cyclopropyloxan-4-one?
The InChIKey is HHMHCKIAEBFNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c9-7-3-4-10-8(5-7)6-1-2-6/h6,8H,1-5H2.
What are the key properties of 2-cyclopropyloxan-4-one?
2-cyclopropyloxan-4-one has a molecular weight of 140.18 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyloxan-4-one is sourced from PubChem (CID 20569293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).