1-[(1R,2S)-2-cyclopropylcyclopropyl]ethanone

C8H12O — CID 45085173

IUPAC1-[(1R,2S)-2-cyclopropylcyclopropyl]ethanone
SMILESCC(=O)[C@@H]1C[C@H]1C1CC1
InChIInChI=1S/C8H12O/c1-5(9)7-4-8(7)6-2-3-6/h6-8H,2-4H2,1H3/t7-,8-/m0/s1
InChIKeyLIRUAPWFNMOSEL-YUMQZZPRSA-N
MW124.18 g/mol
LogP1.62
Rot. Bonds2

About 1-[(1R,2S)-2-cyclopropylcyclopropyl]ethanone

1-[(1R,2S)-2-cyclopropylcyclopropyl]ethanone (PubChem CID 45085173) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 1-[(1R,2S)-2-cyclopropylcyclopropyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2S)-2-cyclopropylcyclopropyl]ethanone
PubChem CID45085173
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name1-[(1R,2S)-2-cyclopropylcyclopropyl]ethanone
SMILESCC(=O)[C@@H]1C[C@H]1C1CC1
InChIInChI=1S/C8H12O/c1-5(9)7-4-8(7)6-2-3-6/h6-8H,2-4H2,1H3/t7-,8-/m0/s1
InChIKeyLIRUAPWFNMOSEL-YUMQZZPRSA-N
XLogP1.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-cyclopropylcyclopropyl]ethanone?
The IUPAC name of 1-[(1R,2S)-2-cyclopropylcyclopropyl]ethanone (CID 45085173) is 1-[(1R,2S)-2-cyclopropylcyclopropyl]ethanone.
What is the SMILES notation for 1-[(1R,2S)-2-cyclopropylcyclopropyl]ethanone?
The canonical SMILES for 1-[(1R,2S)-2-cyclopropylcyclopropyl]ethanone is CC(=O)[C@@H]1C[C@H]1C1CC1.
What is the InChIKey of 1-[(1R,2S)-2-cyclopropylcyclopropyl]ethanone?
The InChIKey is LIRUAPWFNMOSEL-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H12O/c1-5(9)7-4-8(7)6-2-3-6/h6-8H,2-4H2,1H3/t7-,8-/m0/s1.
What are the key properties of 1-[(1R,2S)-2-cyclopropylcyclopropyl]ethanone?
1-[(1R,2S)-2-cyclopropylcyclopropyl]ethanone has a molecular weight of 124.18 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-cyclopropylcyclopropyl]ethanone is sourced from PubChem (CID 45085173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).