(5R)-2-(furan-3-carbonyl)-5-methyl-3-(2-methylpropyl)cyclopent-2-en-1-one

C15H18O3 — CID 163018803

IUPAC(5R)-2-(furan-3-carbonyl)-5-methyl-3-(2-methylpropyl)cyclopent-2-en-1-one
SMILESCC(C)CC1=C(C(=O)c2ccoc2)C(=O)[C@H](C)C1
InChIInChI=1S/C15H18O3/c1-9(2)6-12-7-10(3)14(16)13(12)15(17)11-4-5-18-8-11/h4-5,8-10H,6-7H2,1-3H3/t10-/m1/s1
InChIKeyYUPNXZJXDREVDT-SNVBAGLBSA-N
MW246.31 g/mol
LogP3.41
Rot. Bonds4

About (5R)-2-(furan-3-carbonyl)-5-methyl-3-(2-methylpropyl)cyclopent-2-en-1-one

(5R)-2-(furan-3-carbonyl)-5-methyl-3-(2-methylpropyl)cyclopent-2-en-1-one (PubChem CID 163018803) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is (5R)-2-(furan-3-carbonyl)-5-methyl-3-(2-methylpropyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name(5R)-2-(furan-3-carbonyl)-5-methyl-3-(2-methylpropyl)cyclopent-2-en-1-one
PubChem CID163018803
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name(5R)-2-(furan-3-carbonyl)-5-methyl-3-(2-methylpropyl)cyclopent-2-en-1-one
SMILESCC(C)CC1=C(C(=O)c2ccoc2)C(=O)[C@H](C)C1
InChIInChI=1S/C15H18O3/c1-9(2)6-12-7-10(3)14(16)13(12)15(17)11-4-5-18-8-11/h4-5,8-10H,6-7H2,1-3H3/t10-/m1/s1
InChIKeyYUPNXZJXDREVDT-SNVBAGLBSA-N
XLogP3.41
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-(furan-3-carbonyl)-5-methyl-3-(2-methylpropyl)cyclopent-2-en-1-one?
The IUPAC name of (5R)-2-(furan-3-carbonyl)-5-methyl-3-(2-methylpropyl)cyclopent-2-en-1-one (CID 163018803) is (5R)-2-(furan-3-carbonyl)-5-methyl-3-(2-methylpropyl)cyclopent-2-en-1-one.
What is the SMILES notation for (5R)-2-(furan-3-carbonyl)-5-methyl-3-(2-methylpropyl)cyclopent-2-en-1-one?
The canonical SMILES for (5R)-2-(furan-3-carbonyl)-5-methyl-3-(2-methylpropyl)cyclopent-2-en-1-one is CC(C)CC1=C(C(=O)c2ccoc2)C(=O)[C@H](C)C1.
What is the InChIKey of (5R)-2-(furan-3-carbonyl)-5-methyl-3-(2-methylpropyl)cyclopent-2-en-1-one?
The InChIKey is YUPNXZJXDREVDT-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18O3/c1-9(2)6-12-7-10(3)14(16)13(12)15(17)11-4-5-18-8-11/h4-5,8-10H,6-7H2,1-3H3/t10-/m1/s1.
What are the key properties of (5R)-2-(furan-3-carbonyl)-5-methyl-3-(2-methylpropyl)cyclopent-2-en-1-one?
(5R)-2-(furan-3-carbonyl)-5-methyl-3-(2-methylpropyl)cyclopent-2-en-1-one has a molecular weight of 246.31 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(furan-3-carbonyl)-5-methyl-3-(2-methylpropyl)cyclopent-2-en-1-one is sourced from PubChem (CID 163018803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).