1-[(1S,2S)-2-methoxycyclopropyl]ethanone

C6H10O2 — CID 134856757

IUPAC1-[(1S,2S)-2-methoxycyclopropyl]ethanone
SMILESCO[C@H]1C[C@@H]1C(C)=O
InChIInChI=1S/C6H10O2/c1-4(7)5-3-6(5)8-2/h5-6H,3H2,1-2H3/t5-,6+/m1/s1
InChIKeyDZPZZOWOSIQAFV-RITPCOANSA-N
MW114.14 g/mol
LogP0.61
Rot. Bonds2

About 1-[(1S,2S)-2-methoxycyclopropyl]ethanone

1-[(1S,2S)-2-methoxycyclopropyl]ethanone (PubChem CID 134856757) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 1-[(1S,2S)-2-methoxycyclopropyl]ethanone.

Molecular Properties

Compound Name1-[(1S,2S)-2-methoxycyclopropyl]ethanone
PubChem CID134856757
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name1-[(1S,2S)-2-methoxycyclopropyl]ethanone
SMILESCO[C@H]1C[C@@H]1C(C)=O
InChIInChI=1S/C6H10O2/c1-4(7)5-3-6(5)8-2/h5-6H,3H2,1-2H3/t5-,6+/m1/s1
InChIKeyDZPZZOWOSIQAFV-RITPCOANSA-N
XLogP0.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-methoxycyclopropane-1-carboxylic acid
CID 14269839
2-methoxycyclobutane-1-carboxylic acid
CID 130021042
(1R)-N-(2-hydroxyethyl)-2-methoxycyclopropane-1-carboxamide
CID 129270935
methyl 5-acetyl-2-methoxycyclohexane-1-carboxylate
CID 71192390
1-(2,3,4-triacetylcyclopentyl)ethanone
CID 20647725
4-acetyl-5-methoxycyclohexene-1-carboxylic acid
CID 163901559
cis-(1R,2S)-2-methoxycyclopentane-1-carbonyl chloride
CID 14711766
(2-methoxycyclobutyl) acetate
CID 68941344
1-(3,4-dimethoxypyrrolidin-1-yl)ethanone
CID 89259810
N-(4-bromophenyl)-2-methoxycyclopropane-1-carboxamide
CID 164645796
(2-methoxycyclopropyl)carbamic acid
CID 91613377
3,4,5-trimethoxycyclohexane-1-carboxylic acid
CID 18688040

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-methoxycyclopropyl]ethanone?
The IUPAC name of 1-[(1S,2S)-2-methoxycyclopropyl]ethanone (CID 134856757) is 1-[(1S,2S)-2-methoxycyclopropyl]ethanone.
What is the SMILES notation for 1-[(1S,2S)-2-methoxycyclopropyl]ethanone?
The canonical SMILES for 1-[(1S,2S)-2-methoxycyclopropyl]ethanone is CO[C@H]1C[C@@H]1C(C)=O.
What is the InChIKey of 1-[(1S,2S)-2-methoxycyclopropyl]ethanone?
The InChIKey is DZPZZOWOSIQAFV-RITPCOANSA-N. The full InChI is InChI=1S/C6H10O2/c1-4(7)5-3-6(5)8-2/h5-6H,3H2,1-2H3/t5-,6+/m1/s1.
What are the key properties of 1-[(1S,2S)-2-methoxycyclopropyl]ethanone?
1-[(1S,2S)-2-methoxycyclopropyl]ethanone has a molecular weight of 114.14 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-methoxycyclopropyl]ethanone is sourced from PubChem (CID 134856757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).