1-[(1S,2R)-2-(hydroxymethyl)cyclopropyl]ethanone

C6H10O2 — CID 102249907

IUPAC1-[(1S,2R)-2-(hydroxymethyl)cyclopropyl]ethanone
SMILESCC(=O)[C@H]1C[C@H]1CO
InChIInChI=1S/C6H10O2/c1-4(8)6-2-5(6)3-7/h5-7H,2-3H2,1H3/t5-,6+/m0/s1
InChIKeyUDEQWTRHJXJBOU-NTSWFWBYSA-N
MW114.14 g/mol
LogP0.20
Rot. Bonds2

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

1-[(1S,2R)-2-(hydroxymethyl)cyclopropyl]ethanone (PubChem CID 102249907) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 1-[(1S,2R)-2-(hydroxymethyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[(1S,2R)-2-(hydroxymethyl)cyclopropyl]ethanone
PubChem CID102249907
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name1-[(1S,2R)-2-(hydroxymethyl)cyclopropyl]ethanone
SMILESCC(=O)[C@H]1C[C@H]1CO
InChIInChI=1S/C6H10O2/c1-4(8)6-2-5(6)3-7/h5-7H,2-3H2,1H3/t5-,6+/m0/s1
InChIKeyUDEQWTRHJXJBOU-NTSWFWBYSA-N
XLogP0.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-(hydroxymethyl)cyclopropyl]ethanone?
The IUPAC name of 1-[(1S,2R)-2-(hydroxymethyl)cyclopropyl]ethanone (CID 102249907) is 1-[(1S,2R)-2-(hydroxymethyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[(1S,2R)-2-(hydroxymethyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[(1S,2R)-2-(hydroxymethyl)cyclopropyl]ethanone is CC(=O)[C@H]1C[C@H]1CO.
What is the InChIKey of 1-[(1S,2R)-2-(hydroxymethyl)cyclopropyl]ethanone?
The InChIKey is UDEQWTRHJXJBOU-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H10O2/c1-4(8)6-2-5(6)3-7/h5-7H,2-3H2,1H3/t5-,6+/m0/s1.
What are the key properties of 1-[(1S,2R)-2-(hydroxymethyl)cyclopropyl]ethanone?
1-[(1S,2R)-2-(hydroxymethyl)cyclopropyl]ethanone has a molecular weight of 114.14 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-(hydroxymethyl)cyclopropyl]ethanone is sourced from PubChem (CID 102249907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).