2-[(1S)-3-oxocyclopentyl]acetaldehyde

C7H10O2 — CID 10534670

IUPAC2-[(1S)-3-oxocyclopentyl]acetaldehyde
SMILESO=CC[C@@H]1CCC(=O)C1
InChIInChI=1S/C7H10O2/c8-4-3-6-1-2-7(9)5-6/h4,6H,1-3,5H2/t6-/m0/s1
InChIKeyYDCUQMSVRRIWKL-LURJTMIESA-N
MW126.16 g/mol
LogP0.94
Rot. Bonds2

About 2-[(1S)-3-oxocyclopentyl]acetaldehyde

2-[(1S)-3-oxocyclopentyl]acetaldehyde (PubChem CID 10534670) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-[(1S)-3-oxocyclopentyl]acetaldehyde.

Molecular Properties

Compound Name2-[(1S)-3-oxocyclopentyl]acetaldehyde
PubChem CID10534670
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Name2-[(1S)-3-oxocyclopentyl]acetaldehyde
SMILESO=CC[C@@H]1CCC(=O)C1
InChIInChI=1S/C7H10O2/c8-4-3-6-1-2-7(9)5-6/h4,6H,1-3,5H2/t6-/m0/s1
InChIKeyYDCUQMSVRRIWKL-LURJTMIESA-N
XLogP0.94
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-oxocyclopentyl)methyl]cyclopentan-1-one
CID 121217828
bis(3-ethylcyclopentan-1-one);methane
CID 159745334
3-but-3-enylcyclopentan-1-one
CID 13045271
(3S)-3-(2-hydroxyethyl)cyclopentan-1-one
CID 71387530
3-prop-2-enylcycloheptan-1-one
CID 11378603
2-(3,3-dimethyl-5-oxocyclohexyl)acetaldehyde
CID 101399520
(3-oxocyclopentyl)methylsulfamic acid
CID 174259023
(3S)-3-hex-5-enylcyclopentan-1-one
CID 11159527
O-methyl 2-(3-oxocyclopentyl)ethanethioate
CID 13433392
2-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)acetaldehyde
CID 112546958
3-pentylcyclopentan-1-one
CID 11040911
3-(3-methylbutyl)cyclopentan-1-one
CID 64521347

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-3-oxocyclopentyl]acetaldehyde?
The IUPAC name of 2-[(1S)-3-oxocyclopentyl]acetaldehyde (CID 10534670) is 2-[(1S)-3-oxocyclopentyl]acetaldehyde.
What is the SMILES notation for 2-[(1S)-3-oxocyclopentyl]acetaldehyde?
The canonical SMILES for 2-[(1S)-3-oxocyclopentyl]acetaldehyde is O=CC[C@@H]1CCC(=O)C1.
What is the InChIKey of 2-[(1S)-3-oxocyclopentyl]acetaldehyde?
The InChIKey is YDCUQMSVRRIWKL-LURJTMIESA-N. The full InChI is InChI=1S/C7H10O2/c8-4-3-6-1-2-7(9)5-6/h4,6H,1-3,5H2/t6-/m0/s1.
What are the key properties of 2-[(1S)-3-oxocyclopentyl]acetaldehyde?
2-[(1S)-3-oxocyclopentyl]acetaldehyde has a molecular weight of 126.16 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-3-oxocyclopentyl]acetaldehyde is sourced from PubChem (CID 10534670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).