1-[(1R,2S)-2-ethyl-1-methylcyclopropyl]ethanone

C8H14O — CID 89117681

IUPAC1-[(1R,2S)-2-ethyl-1-methylcyclopropyl]ethanone
SMILESCC[C@H]1C[C@@]1(C)C(C)=O
InChIInChI=1S/C8H14O/c1-4-7-5-8(7,3)6(2)9/h7H,4-5H2,1-3H3/t7-,8-/m0/s1
InChIKeyUAHVFWMMSCUUCZ-YUMQZZPRSA-N
MW126.20 g/mol
LogP2.01
Rot. Bonds2

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

1-[(1R,2S)-2-ethyl-1-methylcyclopropyl]ethanone (PubChem CID 89117681) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-[(1R,2S)-2-ethyl-1-methylcyclopropyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2S)-2-ethyl-1-methylcyclopropyl]ethanone
PubChem CID89117681
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name1-[(1R,2S)-2-ethyl-1-methylcyclopropyl]ethanone
SMILESCC[C@H]1C[C@@]1(C)C(C)=O
InChIInChI=1S/C8H14O/c1-4-7-5-8(7,3)6(2)9/h7H,4-5H2,1-3H3/t7-,8-/m0/s1
InChIKeyUAHVFWMMSCUUCZ-YUMQZZPRSA-N
XLogP2.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(3S,4R)-4-acetyl-3-ethyl-4-methylcyclohexan-1-one
CID 142378260
tert-butyl N-[(1R,2S)-1-acetyl-2-ethylcyclopropyl]carbamate
CID 59044921
1-[(1R,2R)-1-amino-2-ethylcyclopropyl]-2-methylprop-2-en-1-one
CID 89079632
tert-butyl 2-acetyl-2-methylcyclopropane-1-carboxylate
CID 59593712
4-ethyl-3,3-dimethyldioxolane acetate
CID 23147908
1-amino-2-ethylcyclopropan-1-ol
CID 163837248
1-[(1S,2S,4R)-2-methyl-2-bicyclo[2.2.1]heptanyl]ethanone
CID 131122993
1-(3,3,6-trimethyl-6-bicyclo[3.2.1]octanyl)ethanone
CID 123180070
2-[(1S)-1-amino-2-ethylcyclopropyl]acetic acid
CID 55288762
4-[(1R)-2,2-dimethylcyclopropyl]butan-2-one
CID 134971339
cis-(2S,5S)-5-ethyl-2,4,4-trimethylcyclohexan-1-one
CID 131107477
trans-(1R,2S)-1-methyl-2-(2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid
CID 178190667

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-ethyl-1-methylcyclopropyl]ethanone?
The IUPAC name of 1-[(1R,2S)-2-ethyl-1-methylcyclopropyl]ethanone (CID 89117681) is 1-[(1R,2S)-2-ethyl-1-methylcyclopropyl]ethanone.
What is the SMILES notation for 1-[(1R,2S)-2-ethyl-1-methylcyclopropyl]ethanone?
The canonical SMILES for 1-[(1R,2S)-2-ethyl-1-methylcyclopropyl]ethanone is CC[C@H]1C[C@@]1(C)C(C)=O.
What is the InChIKey of 1-[(1R,2S)-2-ethyl-1-methylcyclopropyl]ethanone?
The InChIKey is UAHVFWMMSCUUCZ-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H14O/c1-4-7-5-8(7,3)6(2)9/h7H,4-5H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of 1-[(1R,2S)-2-ethyl-1-methylcyclopropyl]ethanone?
1-[(1R,2S)-2-ethyl-1-methylcyclopropyl]ethanone has a molecular weight of 126.20 g/mol, XLogP of 2.01, 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-ethyl-1-methylcyclopropyl]ethanone is sourced from PubChem (CID 89117681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).