cis-(1R,2R)-2-(furan-2-yl)-4-oxocyclopentane-1-carbaldehyde

C10H10O3 — CID 101079486

IUPACcis-(1R,2R)-2-(furan-2-yl)-4-oxocyclopentane-1-carbaldehyde
SMILESO=C[C@@H]1CC(=O)C[C@H]1c1ccco1
InChIInChI=1S/C10H10O3/c11-6-7-4-8(12)5-9(7)10-2-1-3-13-10/h1-3,6-7,9H,4-5H2/t7-,9+/m0/s1
InChIKeyPFPVGFGEDGZPOC-IONNQARKSA-N
MW178.19 g/mol
LogP1.54
Rot. Bonds2

About cis-(1R,2R)-2-(furan-2-yl)-4-oxocyclopentane-1-carbaldehyde

cis-(1R,2R)-2-(furan-2-yl)-4-oxocyclopentane-1-carbaldehyde (PubChem CID 101079486) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is cis-(1R,2R)-2-(furan-2-yl)-4-oxocyclopentane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1R,2R)-2-(furan-2-yl)-4-oxocyclopentane-1-carbaldehyde
PubChem CID101079486
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Namecis-(1R,2R)-2-(furan-2-yl)-4-oxocyclopentane-1-carbaldehyde
SMILESO=C[C@@H]1CC(=O)C[C@H]1c1ccco1
InChIInChI=1S/C10H10O3/c11-6-7-4-8(12)5-9(7)10-2-1-3-13-10/h1-3,6-7,9H,4-5H2/t7-,9+/m0/s1
InChIKeyPFPVGFGEDGZPOC-IONNQARKSA-N
XLogP1.54
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(furan-2-yl)-5,5-dimethyloxolane-2-carbaldehyde
CID 59963922
4-(furan-2-yl)-5-methylpyrrolidin-2-one
CID 66108911
3-(furan-2-yl)bicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 72796024
4-(furan-2-yl)-5-phenyloxolan-2-one
CID 144706049
2-(furan-2-yl)cyclobutane-1-carboxylic acid
CID 81009452
(4R,5R,6R)-4-(furan-2-yl)-5,6-diphenyloxan-2-one
CID 102593358
(4R)-4-(furan-2-yl)pyrrolidin-2-one
CID 94826830
5-oxo-2-phenylcyclohexane-1-carbaldehyde
CID 86204280
cis-(1R,2S)-2-(furan-2-yl)cyclohexan-1-ol
CID 95256771
3-(furan-2-yl)spiro[5.6]dodeca-8,10-diene-1,5-dione
CID 102347424
cyclopropyl-[2-(furan-2-yl)cyclopropyl]methanone
CID 549488
(4-methoxycarbonylphenyl) (3R,4R)-3-formyl-4-(furan-2-yl)pyrrolidine-1-carboxylate
CID 91343396

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-(furan-2-yl)-4-oxocyclopentane-1-carbaldehyde?
The IUPAC name of cis-(1R,2R)-2-(furan-2-yl)-4-oxocyclopentane-1-carbaldehyde (CID 101079486) is cis-(1R,2R)-2-(furan-2-yl)-4-oxocyclopentane-1-carbaldehyde.
What is the SMILES notation for cis-(1R,2R)-2-(furan-2-yl)-4-oxocyclopentane-1-carbaldehyde?
The canonical SMILES for cis-(1R,2R)-2-(furan-2-yl)-4-oxocyclopentane-1-carbaldehyde is O=C[C@@H]1CC(=O)C[C@H]1c1ccco1.
What is the InChIKey of cis-(1R,2R)-2-(furan-2-yl)-4-oxocyclopentane-1-carbaldehyde?
The InChIKey is PFPVGFGEDGZPOC-IONNQARKSA-N. The full InChI is InChI=1S/C10H10O3/c11-6-7-4-8(12)5-9(7)10-2-1-3-13-10/h1-3,6-7,9H,4-5H2/t7-,9+/m0/s1.
What are the key properties of cis-(1R,2R)-2-(furan-2-yl)-4-oxocyclopentane-1-carbaldehyde?
cis-(1R,2R)-2-(furan-2-yl)-4-oxocyclopentane-1-carbaldehyde has a molecular weight of 178.19 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-(furan-2-yl)-4-oxocyclopentane-1-carbaldehyde is sourced from PubChem (CID 101079486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).