(2R)-2-[(1R,2R,5R)-2-acetyl-5-methylcyclopentyl]-3-propan-2-yl-2H-furan-5-one

C15H22O3 — CID 163011213

IUPAC(2R)-2-[(1R,2R,5R)-2-acetyl-5-methylcyclopentyl]-3-propan-2-yl-2H-furan-5-one
SMILESCC(=O)[C@@H]1CC[C@@H](C)[C@H]1[C@H]1OC(=O)C=C1C(C)C
InChIInChI=1S/C15H22O3/c1-8(2)12-7-13(17)18-15(12)14-9(3)5-6-11(14)10(4)16/h7-9,11,14-15H,5-6H2,1-4H3/t9-,11+,14-,15+/m1/s1
InChIKeyXFPNWKDJTKUHLJ-QFEPDWEUSA-N
MW250.34 g/mol
LogP2.75
Rot. Bonds3

About (2R)-2-[(1R,2R,5R)-2-acetyl-5-methylcyclopentyl]-3-propan-2-yl-2H-furan-5-one

(2R)-2-[(1R,2R,5R)-2-acetyl-5-methylcyclopentyl]-3-propan-2-yl-2H-furan-5-one (PubChem CID 163011213) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2R)-2-[(1R,2R,5R)-2-acetyl-5-methylcyclopentyl]-3-propan-2-yl-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1R,2R,5R)-2-acetyl-5-methylcyclopentyl]-3-propan-2-yl-2H-furan-5-one
PubChem CID163011213
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(2R)-2-[(1R,2R,5R)-2-acetyl-5-methylcyclopentyl]-3-propan-2-yl-2H-furan-5-one
SMILESCC(=O)[C@@H]1CC[C@@H](C)[C@H]1[C@H]1OC(=O)C=C1C(C)C
InChIInChI=1S/C15H22O3/c1-8(2)12-7-13(17)18-15(12)14-9(3)5-6-11(14)10(4)16/h7-9,11,14-15H,5-6H2,1-4H3/t9-,11+,14-,15+/m1/s1
InChIKeyXFPNWKDJTKUHLJ-QFEPDWEUSA-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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R,2R,5R)-2-acetyl-5-methylcyclopentyl]-3-propan-2-yl-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1R,2R,5R)-2-acetyl-5-methylcyclopentyl]-3-propan-2-yl-2H-furan-5-one (CID 163011213) is (2R)-2-[(1R,2R,5R)-2-acetyl-5-methylcyclopentyl]-3-propan-2-yl-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1R,2R,5R)-2-acetyl-5-methylcyclopentyl]-3-propan-2-yl-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1R,2R,5R)-2-acetyl-5-methylcyclopentyl]-3-propan-2-yl-2H-furan-5-one is CC(=O)[C@@H]1CC[C@@H](C)[C@H]1[C@H]1OC(=O)C=C1C(C)C.
What is the InChIKey of (2R)-2-[(1R,2R,5R)-2-acetyl-5-methylcyclopentyl]-3-propan-2-yl-2H-furan-5-one?
The InChIKey is XFPNWKDJTKUHLJ-QFEPDWEUSA-N. The full InChI is InChI=1S/C15H22O3/c1-8(2)12-7-13(17)18-15(12)14-9(3)5-6-11(14)10(4)16/h7-9,11,14-15H,5-6H2,1-4H3/t9-,11+,14-,15+/m1/s1.
What are the key properties of (2R)-2-[(1R,2R,5R)-2-acetyl-5-methylcyclopentyl]-3-propan-2-yl-2H-furan-5-one?
(2R)-2-[(1R,2R,5R)-2-acetyl-5-methylcyclopentyl]-3-propan-2-yl-2H-furan-5-one 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 (2R)-2-[(1R,2R,5R)-2-acetyl-5-methylcyclopentyl]-3-propan-2-yl-2H-furan-5-one is sourced from PubChem (CID 163011213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).