1-[1-(cyclopropanecarbonyl)cyclopropyl]ethanone

C9H12O2 — CID 13154964

IUPAC1-[1-(cyclopropanecarbonyl)cyclopropyl]ethanone
SMILESCC(=O)C1(C(=O)C2CC2)CC1
InChIInChI=1S/C9H12O2/c1-6(10)9(4-5-9)8(11)7-2-3-7/h7H,2-5H2,1H3
InChIKeyWGHJZRKWRXKPKH-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.33
Rot. Bonds3

About 1-[1-(cyclopropanecarbonyl)cyclopropyl]ethanone

1-[1-(cyclopropanecarbonyl)cyclopropyl]ethanone (PubChem CID 13154964) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 1-[1-(cyclopropanecarbonyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[1-(cyclopropanecarbonyl)cyclopropyl]ethanone
PubChem CID13154964
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name1-[1-(cyclopropanecarbonyl)cyclopropyl]ethanone
SMILESCC(=O)C1(C(=O)C2CC2)CC1
InChIInChI=1S/C9H12O2/c1-6(10)9(4-5-9)8(11)7-2-3-7/h7H,2-5H2,1H3
InChIKeyWGHJZRKWRXKPKH-UHFFFAOYSA-N
XLogP1.33
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropanecarbonyl)cyclopropyl]ethanone?
The IUPAC name of 1-[1-(cyclopropanecarbonyl)cyclopropyl]ethanone (CID 13154964) is 1-[1-(cyclopropanecarbonyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[1-(cyclopropanecarbonyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[1-(cyclopropanecarbonyl)cyclopropyl]ethanone is CC(=O)C1(C(=O)C2CC2)CC1.
What is the InChIKey of 1-[1-(cyclopropanecarbonyl)cyclopropyl]ethanone?
The InChIKey is WGHJZRKWRXKPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-6(10)9(4-5-9)8(11)7-2-3-7/h7H,2-5H2,1H3.
What are the key properties of 1-[1-(cyclopropanecarbonyl)cyclopropyl]ethanone?
1-[1-(cyclopropanecarbonyl)cyclopropyl]ethanone has a molecular weight of 152.19 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropanecarbonyl)cyclopropyl]ethanone is sourced from PubChem (CID 13154964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).