2-chlorocyclopropan-1-one

C3H3ClO — CID 18624464

IUPAC2-chlorocyclopropan-1-one
SMILESO=C1CC1Cl
InChIInChI=1S/C3H3ClO/c4-2-1-3(2)5/h2H,1H2
InChIKeyWALMSLYOUOSILS-UHFFFAOYSA-N
MW90.51 g/mol
LogP0.57
Rot. Bonds

About 2-chlorocyclopropan-1-one

2-chlorocyclopropan-1-one (PubChem CID 18624464) has the molecular formula C3H3ClO and a molecular weight of 90.51 g/mol. Its IUPAC name is 2-chlorocyclopropan-1-one.

Molecular Properties

Compound Name2-chlorocyclopropan-1-one
PubChem CID18624464
Molecular FormulaC3H3ClO
Molecular Weight90.51 g/mol
Exact Mass89.99
IUPAC Name2-chlorocyclopropan-1-one
SMILESO=C1CC1Cl
InChIInChI=1S/C3H3ClO/c4-2-1-3(2)5/h2H,1H2
InChIKeyWALMSLYOUOSILS-UHFFFAOYSA-N
XLogP0.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.51
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chlorocyclopropan-1-one?
The IUPAC name of 2-chlorocyclopropan-1-one (CID 18624464) is 2-chlorocyclopropan-1-one.
What is the SMILES notation for 2-chlorocyclopropan-1-one?
The canonical SMILES for 2-chlorocyclopropan-1-one is O=C1CC1Cl.
What is the InChIKey of 2-chlorocyclopropan-1-one?
The InChIKey is WALMSLYOUOSILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3ClO/c4-2-1-3(2)5/h2H,1H2.
What are the key properties of 2-chlorocyclopropan-1-one?
2-chlorocyclopropan-1-one has a molecular weight of 90.51 g/mol, XLogP of 0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorocyclopropan-1-one is sourced from PubChem (CID 18624464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).