1-cyclopropyl-3-hydroxypropan-1-one

C6H10O2 — CID 115011064

IUPAC1-cyclopropyl-3-hydroxypropan-1-one
SMILESO=C(CCO)C1CC1
InChIInChI=1S/C6H10O2/c7-4-3-6(8)5-1-2-5/h5,7H,1-4H2
InChIKeyTYQBCMVHINPOPS-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.35
Rot. Bonds3

About 1-cyclopropyl-3-hydroxypropan-1-one

1-cyclopropyl-3-hydroxypropan-1-one (PubChem CID 115011064) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 1-cyclopropyl-3-hydroxypropan-1-one.

Molecular Properties

Compound Name1-cyclopropyl-3-hydroxypropan-1-one
PubChem CID115011064
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name1-cyclopropyl-3-hydroxypropan-1-one
SMILESO=C(CCO)C1CC1
InChIInChI=1S/C6H10O2/c7-4-3-6(8)5-1-2-5/h5,7H,1-4H2
InChIKeyTYQBCMVHINPOPS-UHFFFAOYSA-N
XLogP0.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 1-cyclopropyl-3-hydroxypropan-1-one?
The IUPAC name of 1-cyclopropyl-3-hydroxypropan-1-one (CID 115011064) is 1-cyclopropyl-3-hydroxypropan-1-one.
What is the SMILES notation for 1-cyclopropyl-3-hydroxypropan-1-one?
The canonical SMILES for 1-cyclopropyl-3-hydroxypropan-1-one is O=C(CCO)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-hydroxypropan-1-one?
The InChIKey is TYQBCMVHINPOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c7-4-3-6(8)5-1-2-5/h5,7H,1-4H2.
What are the key properties of 1-cyclopropyl-3-hydroxypropan-1-one?
1-cyclopropyl-3-hydroxypropan-1-one has a molecular weight of 114.14 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-hydroxypropan-1-one is sourced from PubChem (CID 115011064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).