(1R,2R,5R)-2-methyl-5-[(2S)-2-methyl-3-oxo-5-propan-2-ylfuran-2-yl]cyclopentane-1-carbaldehyde

C15H22O3 — CID 53259520

IUPAC(1R,2R,5R)-2-methyl-5-[(2S)-2-methyl-3-oxo-5-propan-2-ylfuran-2-yl]cyclopentane-1-carbaldehyde
SMILESCC(C)C1=CC(=O)[C@](C)([C@@H]2CC[C@@H](C)[C@H]2C=O)O1
InChIInChI=1S/C15H22O3/c1-9(2)13-7-14(17)15(4,18-13)12-6-5-10(3)11(12)8-16/h7-12H,5-6H2,1-4H3/t10-,11-,12-,15+/m1/s1
InChIKeyDWDZZQZOCNUWLL-BLTAXRJOSA-N
MW250.34 g/mol
LogP2.75
Rot. Bonds3

About (1R,2R,5R)-2-methyl-5-[(2S)-2-methyl-3-oxo-5-propan-2-ylfuran-2-yl]cyclopentane-1-carbaldehyde

(1R,2R,5R)-2-methyl-5-[(2S)-2-methyl-3-oxo-5-propan-2-ylfuran-2-yl]cyclopentane-1-carbaldehyde (PubChem CID 53259520) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (1R,2R,5R)-2-methyl-5-[(2S)-2-methyl-3-oxo-5-propan-2-ylfuran-2-yl]cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name(1R,2R,5R)-2-methyl-5-[(2S)-2-methyl-3-oxo-5-propan-2-ylfuran-2-yl]cyclopentane-1-carbaldehyde
PubChem CID53259520
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(1R,2R,5R)-2-methyl-5-[(2S)-2-methyl-3-oxo-5-propan-2-ylfuran-2-yl]cyclopentane-1-carbaldehyde
SMILESCC(C)C1=CC(=O)[C@](C)([C@@H]2CC[C@@H](C)[C@H]2C=O)O1
InChIInChI=1S/C15H22O3/c1-9(2)13-7-14(17)15(4,18-13)12-6-5-10(3)11(12)8-16/h7-12H,5-6H2,1-4H3/t10-,11-,12-,15+/m1/s1
InChIKeyDWDZZQZOCNUWLL-BLTAXRJOSA-N
XLogP2.75
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,2R,5R)-2-methyl-5-[(2S)-2-methyl-3-oxo-5-propan-2-ylfuran-2-yl]cyclopentane-1-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R)-2-methyl-5-[(2S)-2-methyl-3-oxo-5-propan-2-ylfuran-2-yl]cyclopentane-1-carbaldehyde?
The IUPAC name of (1R,2R,5R)-2-methyl-5-[(2S)-2-methyl-3-oxo-5-propan-2-ylfuran-2-yl]cyclopentane-1-carbaldehyde (CID 53259520) is (1R,2R,5R)-2-methyl-5-[(2S)-2-methyl-3-oxo-5-propan-2-ylfuran-2-yl]cyclopentane-1-carbaldehyde.
What is the SMILES notation for (1R,2R,5R)-2-methyl-5-[(2S)-2-methyl-3-oxo-5-propan-2-ylfuran-2-yl]cyclopentane-1-carbaldehyde?
The canonical SMILES for (1R,2R,5R)-2-methyl-5-[(2S)-2-methyl-3-oxo-5-propan-2-ylfuran-2-yl]cyclopentane-1-carbaldehyde is CC(C)C1=CC(=O)[C@](C)([C@@H]2CC[C@@H](C)[C@H]2C=O)O1.
What is the InChIKey of (1R,2R,5R)-2-methyl-5-[(2S)-2-methyl-3-oxo-5-propan-2-ylfuran-2-yl]cyclopentane-1-carbaldehyde?
The InChIKey is DWDZZQZOCNUWLL-BLTAXRJOSA-N. The full InChI is InChI=1S/C15H22O3/c1-9(2)13-7-14(17)15(4,18-13)12-6-5-10(3)11(12)8-16/h7-12H,5-6H2,1-4H3/t10-,11-,12-,15+/m1/s1.
What are the key properties of (1R,2R,5R)-2-methyl-5-[(2S)-2-methyl-3-oxo-5-propan-2-ylfuran-2-yl]cyclopentane-1-carbaldehyde?
(1R,2R,5R)-2-methyl-5-[(2S)-2-methyl-3-oxo-5-propan-2-ylfuran-2-yl]cyclopentane-1-carbaldehyde has a molecular weight of 250.34 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R)-2-methyl-5-[(2S)-2-methyl-3-oxo-5-propan-2-ylfuran-2-yl]cyclopentane-1-carbaldehyde is sourced from PubChem (CID 53259520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).