cyclopropanone;propan-2-one

C6H10O2 — CID 68522509

IUPACcyclopropanone;propan-2-one
SMILESCC(C)=O.O=C1CC1
InChIInChI=1S/C3H4O.C3H6O/c4-3-1-2-3;1-3(2)4/h1-2H2;1-2H3
InChIKeyLPBKWKVBNPWCLS-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.94
Rot. Bonds

About cyclopropanone;propan-2-one

cyclopropanone;propan-2-one (PubChem CID 68522509) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is cyclopropanone;propan-2-one.

Molecular Properties

Compound Namecyclopropanone;propan-2-one
PubChem CID68522509
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Namecyclopropanone;propan-2-one
SMILESCC(C)=O.O=C1CC1
InChIInChI=1S/C3H4O.C3H6O/c4-3-1-2-3;1-3(2)4/h1-2H2;1-2H3
InChIKeyLPBKWKVBNPWCLS-UHFFFAOYSA-N
XLogP0.94
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropanone;propan-2-one?
The IUPAC name of cyclopropanone;propan-2-one (CID 68522509) is cyclopropanone;propan-2-one.
What is the SMILES notation for cyclopropanone;propan-2-one?
The canonical SMILES for cyclopropanone;propan-2-one is CC(C)=O.O=C1CC1.
What is the InChIKey of cyclopropanone;propan-2-one?
The InChIKey is LPBKWKVBNPWCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O.C3H6O/c4-3-1-2-3;1-3(2)4/h1-2H2;1-2H3.
What are the key properties of cyclopropanone;propan-2-one?
cyclopropanone;propan-2-one has a molecular weight of 114.14 g/mol, XLogP of 0.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanone;propan-2-one is sourced from PubChem (CID 68522509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).