(2S)-1-cyclopropyl-2-hydroxypropan-1-one

C6H10O2 — CID 124679592

IUPAC(2S)-1-cyclopropyl-2-hydroxypropan-1-one
SMILESC[C@H](O)C(=O)C1CC1
InChIInChI=1S/C6H10O2/c1-4(7)6(8)5-2-3-5/h4-5,7H,2-3H2,1H3/t4-/m0/s1
InChIKeyIVUQGEMSSKDLDQ-BYPYZUCNSA-N
MW114.14 g/mol
LogP0.35
Rot. Bonds2

About (2S)-1-cyclopropyl-2-hydroxypropan-1-one

(2S)-1-cyclopropyl-2-hydroxypropan-1-one (PubChem CID 124679592) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (2S)-1-cyclopropyl-2-hydroxypropan-1-one.

Molecular Properties

Compound Name(2S)-1-cyclopropyl-2-hydroxypropan-1-one
PubChem CID124679592
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(2S)-1-cyclopropyl-2-hydroxypropan-1-one
SMILESC[C@H](O)C(=O)C1CC1
InChIInChI=1S/C6H10O2/c1-4(7)6(8)5-2-3-5/h4-5,7H,2-3H2,1H3/t4-/m0/s1
InChIKeyIVUQGEMSSKDLDQ-BYPYZUCNSA-N
XLogP0.35
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 ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclopropyl-2-hydroxypropan-1-one?
The IUPAC name of (2S)-1-cyclopropyl-2-hydroxypropan-1-one (CID 124679592) is (2S)-1-cyclopropyl-2-hydroxypropan-1-one.
What is the SMILES notation for (2S)-1-cyclopropyl-2-hydroxypropan-1-one?
The canonical SMILES for (2S)-1-cyclopropyl-2-hydroxypropan-1-one is C[C@H](O)C(=O)C1CC1.
What is the InChIKey of (2S)-1-cyclopropyl-2-hydroxypropan-1-one?
The InChIKey is IVUQGEMSSKDLDQ-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10O2/c1-4(7)6(8)5-2-3-5/h4-5,7H,2-3H2,1H3/t4-/m0/s1.
What are the key properties of (2S)-1-cyclopropyl-2-hydroxypropan-1-one?
(2S)-1-cyclopropyl-2-hydroxypropan-1-one has a molecular weight of 114.14 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclopropyl-2-hydroxypropan-1-one is sourced from PubChem (CID 124679592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).