2-ethyl-3-hydroxycyclopropan-1-one

C5H8O2 — CID 90788395

IUPAC2-ethyl-3-hydroxycyclopropan-1-one
SMILESCCC1C(=O)C1O
InChIInChI=1S/C5H8O2/c1-2-3-4(6)5(3)7/h3-4,6H,2H2,1H3
InChIKeyMRGOCSHDHBMRRS-UHFFFAOYSA-N
MW100.12 g/mol
LogP-0.04
Rot. Bonds1

About 2-ethyl-3-hydroxycyclopropan-1-one

2-ethyl-3-hydroxycyclopropan-1-one (PubChem CID 90788395) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is 2-ethyl-3-hydroxycyclopropan-1-one.

Molecular Properties

Compound Name2-ethyl-3-hydroxycyclopropan-1-one
PubChem CID90788395
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name2-ethyl-3-hydroxycyclopropan-1-one
SMILESCCC1C(=O)C1O
InChIInChI=1S/C5H8O2/c1-2-3-4(6)5(3)7/h3-4,6H,2H2,1H3
InChIKeyMRGOCSHDHBMRRS-UHFFFAOYSA-N
XLogP-0.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-3-hydroxycyclopropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-diethylcyclobutane-1,2-dione
CID 141348046
8-ethyl-3-hydroxybicyclo[4.2.0]octan-7-one
CID 56638242
6-ethyl-4-hydroxyoxan-2-one
CID 20679563
6-ethyl-3,4,5-trihydroxyoxan-2-one
CID 123675946
(3S,4R)-4-acetyl-3-ethylazetidin-2-one
CID 131846194
cis-(2S,5R)-2,3,4,5,6-pentahydroxycyclohexan-1-one
CID 58392006
(4R)-4-ethyloxetan-2-one
CID 14325240
4-ethyl-5-hydroxyimidazolidin-2-one
CID 154527344
2,5-dihydroxy-3-methylcyclohexan-1-one
CID 130036383
(2R)-4-ethyl-2-hydroxy-2H-furan-5-one
CID 124583750
(1S,7S)-7-ethyl-1-hydroxybicyclo[3.2.0]heptan-6-one
CID 102498911
(3S,4S)-4-ethyl-5-oxopyrrolidine-3-carboxylic acid
CID 131851987

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-hydroxycyclopropan-1-one?
The IUPAC name of 2-ethyl-3-hydroxycyclopropan-1-one (CID 90788395) is 2-ethyl-3-hydroxycyclopropan-1-one.
What is the SMILES notation for 2-ethyl-3-hydroxycyclopropan-1-one?
The canonical SMILES for 2-ethyl-3-hydroxycyclopropan-1-one is CCC1C(=O)C1O.
What is the InChIKey of 2-ethyl-3-hydroxycyclopropan-1-one?
The InChIKey is MRGOCSHDHBMRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c1-2-3-4(6)5(3)7/h3-4,6H,2H2,1H3.
What are the key properties of 2-ethyl-3-hydroxycyclopropan-1-one?
2-ethyl-3-hydroxycyclopropan-1-one has a molecular weight of 100.12 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-hydroxycyclopropan-1-one is sourced from PubChem (CID 90788395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).