(5R)-5-(hydroxymethyl)-3-oxocyclopentene-1-carbaldehyde

C7H8O3 — CID 131090280

IUPAC(5R)-5-(hydroxymethyl)-3-oxocyclopentene-1-carbaldehyde
SMILESO=CC1=CC(=O)C[C@H]1CO
InChIInChI=1S/C7H8O3/c8-3-5-1-7(10)2-6(5)4-9/h1,3,6,9H,2,4H2/t6-/m0/s1
InChIKeyICCQSZOAYBPOIT-LURJTMIESA-N
MW140.14 g/mol
LogP-0.31
Rot. Bonds2

About (5R)-5-(hydroxymethyl)-3-oxocyclopentene-1-carbaldehyde

(5R)-5-(hydroxymethyl)-3-oxocyclopentene-1-carbaldehyde (PubChem CID 131090280) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is (5R)-5-(hydroxymethyl)-3-oxocyclopentene-1-carbaldehyde.

Molecular Properties

Compound Name(5R)-5-(hydroxymethyl)-3-oxocyclopentene-1-carbaldehyde
PubChem CID131090280
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name(5R)-5-(hydroxymethyl)-3-oxocyclopentene-1-carbaldehyde
SMILESO=CC1=CC(=O)C[C@H]1CO
InChIInChI=1S/C7H8O3/c8-3-5-1-7(10)2-6(5)4-9/h1,3,6,9H,2,4H2/t6-/m0/s1
InChIKeyICCQSZOAYBPOIT-LURJTMIESA-N
XLogP-0.31
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Formylcyclopent-2-ene-1-carboxylic acid
CID 11252055
(4R)-4-(hydroxymethyl)-3-methylcyclopent-2-en-1-one
CID 642551
(5R)-5-(hydroxymethyl)-3-oxo-2-prop-2-enylcyclopentene-1-carbaldehyde
CID 102026664
(5R)-5-(hydroxymethyl)-2-methyl-3-oxocyclopentene-1-carbaldehyde
CID 102026666
3-Methyl-4-methylol-cyclopent-2-en-1-one
CID 13699645
1-[5-(1-Hydroxyethyl)cyclopenten-1-yl]ethanone
CID 11847233
4-(1-Hydroxypenta-3,4-dienyl)cyclopent-2-en-1-one
CID 13482460
(4R)-4-[(1S)-1-hydroxypenta-3,4-dienyl]cyclopent-2-en-1-one
CID 13482461
(4R)-4-[(1R)-1-hydroxypenta-3,4-dienyl]cyclopent-2-en-1-one
CID 13482462
4-(Hydroxymethyl)-3,5-dimethylcyclopent-2-en-1-one
CID 13699642
4-(Hydroxymethyl)-3-propan-2-ylcyclopent-2-en-1-one
CID 13699644
3-(Hydroxymethyl)cyclopentene-1-carbaldehyde
CID 45116560

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(hydroxymethyl)-3-oxocyclopentene-1-carbaldehyde?
The IUPAC name of (5R)-5-(hydroxymethyl)-3-oxocyclopentene-1-carbaldehyde (CID 131090280) is (5R)-5-(hydroxymethyl)-3-oxocyclopentene-1-carbaldehyde.
What is the SMILES notation for (5R)-5-(hydroxymethyl)-3-oxocyclopentene-1-carbaldehyde?
The canonical SMILES for (5R)-5-(hydroxymethyl)-3-oxocyclopentene-1-carbaldehyde is O=CC1=CC(=O)C[C@H]1CO.
What is the InChIKey of (5R)-5-(hydroxymethyl)-3-oxocyclopentene-1-carbaldehyde?
The InChIKey is ICCQSZOAYBPOIT-LURJTMIESA-N. The full InChI is InChI=1S/C7H8O3/c8-3-5-1-7(10)2-6(5)4-9/h1,3,6,9H,2,4H2/t6-/m0/s1.
What are the key properties of (5R)-5-(hydroxymethyl)-3-oxocyclopentene-1-carbaldehyde?
(5R)-5-(hydroxymethyl)-3-oxocyclopentene-1-carbaldehyde has a molecular weight of 140.14 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(hydroxymethyl)-3-oxocyclopentene-1-carbaldehyde is sourced from PubChem (CID 131090280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).