(1S,2R,3S)-3-hydroxy-2-[(2R)-3-oxooxiran-2-yl]cyclopentane-1-carbaldehyde

C8H10O4 — CID 57160158

IUPAC(1S,2R,3S)-3-hydroxy-2-[(2R)-3-oxooxiran-2-yl]cyclopentane-1-carbaldehyde
SMILESO=C[C@H]1CC[C@H](O)[C@@H]1[C@H]1OC1=O
InChIInChI=1S/C8H10O4/c9-3-4-1-2-5(10)6(4)7-8(11)12-7/h3-7,10H,1-2H2/t4-,5+,6-,7-/m1/s1
InChIKeyIJPIHDLFHOQFFE-XZBKPIIZSA-N
MW170.16 g/mol
LogP-0.50
Rot. Bonds2

About (1S,2R,3S)-3-hydroxy-2-[(2R)-3-oxooxiran-2-yl]cyclopentane-1-carbaldehyde

(1S,2R,3S)-3-hydroxy-2-[(2R)-3-oxooxiran-2-yl]cyclopentane-1-carbaldehyde (PubChem CID 57160158) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is (1S,2R,3S)-3-hydroxy-2-[(2R)-3-oxooxiran-2-yl]cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name(1S,2R,3S)-3-hydroxy-2-[(2R)-3-oxooxiran-2-yl]cyclopentane-1-carbaldehyde
PubChem CID57160158
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name(1S,2R,3S)-3-hydroxy-2-[(2R)-3-oxooxiran-2-yl]cyclopentane-1-carbaldehyde
SMILESO=C[C@H]1CC[C@H](O)[C@@H]1[C@H]1OC1=O
InChIInChI=1S/C8H10O4/c9-3-4-1-2-5(10)6(4)7-8(11)12-7/h3-7,10H,1-2H2/t4-,5+,6-,7-/m1/s1
InChIKeyIJPIHDLFHOQFFE-XZBKPIIZSA-N
XLogP-0.50
TPSA66.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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4-hydroxy-7-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-1-carbaldehyde
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cis-(1S,2R)-cyclobutane-1,2-dicarbaldehyde
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(3aS,6aR)-4-hydroxy-2-oxo-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-3-carbaldehyde
CID 89119376
3-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
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(5R)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one
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(5S,6R)-5-hydroxy-6-(hydroxymethyl)oxane-2,3-dione
CID 45083324
(1S,4S,5S)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one
CID 51014182
(3aS,6aR)-2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde
CID 146554515
(1S,3aR,6S,6aR)-6-hydroxy-1-[(1Z,4Z,7Z,10Z)-trideca-1,4,7,10-tetraenyl]-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 14582346
(3aR,5R,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carbaldehyde
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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S)-3-hydroxy-2-[(2R)-3-oxooxiran-2-yl]cyclopentane-1-carbaldehyde?
The IUPAC name of (1S,2R,3S)-3-hydroxy-2-[(2R)-3-oxooxiran-2-yl]cyclopentane-1-carbaldehyde (CID 57160158) is (1S,2R,3S)-3-hydroxy-2-[(2R)-3-oxooxiran-2-yl]cyclopentane-1-carbaldehyde.
What is the SMILES notation for (1S,2R,3S)-3-hydroxy-2-[(2R)-3-oxooxiran-2-yl]cyclopentane-1-carbaldehyde?
The canonical SMILES for (1S,2R,3S)-3-hydroxy-2-[(2R)-3-oxooxiran-2-yl]cyclopentane-1-carbaldehyde is O=C[C@H]1CC[C@H](O)[C@@H]1[C@H]1OC1=O.
What is the InChIKey of (1S,2R,3S)-3-hydroxy-2-[(2R)-3-oxooxiran-2-yl]cyclopentane-1-carbaldehyde?
The InChIKey is IJPIHDLFHOQFFE-XZBKPIIZSA-N. The full InChI is InChI=1S/C8H10O4/c9-3-4-1-2-5(10)6(4)7-8(11)12-7/h3-7,10H,1-2H2/t4-,5+,6-,7-/m1/s1.
What are the key properties of (1S,2R,3S)-3-hydroxy-2-[(2R)-3-oxooxiran-2-yl]cyclopentane-1-carbaldehyde?
(1S,2R,3S)-3-hydroxy-2-[(2R)-3-oxooxiran-2-yl]cyclopentane-1-carbaldehyde has a molecular weight of 170.16 g/mol, XLogP of -0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S)-3-hydroxy-2-[(2R)-3-oxooxiran-2-yl]cyclopentane-1-carbaldehyde is sourced from PubChem (CID 57160158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).