1-cyclopropyl-1-methoxypropan-2-one

C7H12O2 — CID 83224626

IUPAC1-cyclopropyl-1-methoxypropan-2-one
SMILESCOC(C(C)=O)C1CC1
InChIInChI=1S/C7H12O2/c1-5(8)7(9-2)6-3-4-6/h6-7H,3-4H2,1-2H3
InChIKeyHBJJLAFMMIQODH-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.00
Rot. Bonds3

About 1-cyclopropyl-1-methoxypropan-2-one

1-cyclopropyl-1-methoxypropan-2-one (PubChem CID 83224626) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 1-cyclopropyl-1-methoxypropan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-1-methoxypropan-2-one
PubChem CID83224626
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name1-cyclopropyl-1-methoxypropan-2-one
SMILESCOC(C(C)=O)C1CC1
InChIInChI=1S/C7H12O2/c1-5(8)7(9-2)6-3-4-6/h6-7H,3-4H2,1-2H3
InChIKeyHBJJLAFMMIQODH-UHFFFAOYSA-N
XLogP1.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methoxypropan-2-one?
The IUPAC name of 1-cyclopropyl-1-methoxypropan-2-one (CID 83224626) is 1-cyclopropyl-1-methoxypropan-2-one.
What is the SMILES notation for 1-cyclopropyl-1-methoxypropan-2-one?
The canonical SMILES for 1-cyclopropyl-1-methoxypropan-2-one is COC(C(C)=O)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-methoxypropan-2-one?
The InChIKey is HBJJLAFMMIQODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-5(8)7(9-2)6-3-4-6/h6-7H,3-4H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-methoxypropan-2-one?
1-cyclopropyl-1-methoxypropan-2-one has a molecular weight of 128.17 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methoxypropan-2-one is sourced from PubChem (CID 83224626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).