(2R)-2-methyl-2-(2-oxopropyl)cyclopentan-1-one

C9H14O2 — CID 100985576

IUPAC(2R)-2-methyl-2-(2-oxopropyl)cyclopentan-1-one
SMILESCC(=O)C[C@@]1(C)CCCC1=O
InChIInChI=1S/C9H14O2/c1-7(10)6-9(2)5-3-4-8(9)11/h3-6H2,1-2H3/t9-/m1/s1
InChIKeyIYOCSTIWGCYCKJ-SECBINFHSA-N
MW154.21 g/mol
LogP1.72
Rot. Bonds2

About (2R)-2-methyl-2-(2-oxopropyl)cyclopentan-1-one

(2R)-2-methyl-2-(2-oxopropyl)cyclopentan-1-one (PubChem CID 100985576) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (2R)-2-methyl-2-(2-oxopropyl)cyclopentan-1-one.

Molecular Properties

Compound Name(2R)-2-methyl-2-(2-oxopropyl)cyclopentan-1-one
PubChem CID100985576
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(2R)-2-methyl-2-(2-oxopropyl)cyclopentan-1-one
SMILESCC(=O)C[C@@]1(C)CCCC1=O
InChIInChI=1S/C9H14O2/c1-7(10)6-9(2)5-3-4-8(9)11/h3-6H2,1-2H3/t9-/m1/s1
InChIKeyIYOCSTIWGCYCKJ-SECBINFHSA-N
XLogP1.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2-(2-oxopropyl)cyclopentan-1-one?
The IUPAC name of (2R)-2-methyl-2-(2-oxopropyl)cyclopentan-1-one (CID 100985576) is (2R)-2-methyl-2-(2-oxopropyl)cyclopentan-1-one.
What is the SMILES notation for (2R)-2-methyl-2-(2-oxopropyl)cyclopentan-1-one?
The canonical SMILES for (2R)-2-methyl-2-(2-oxopropyl)cyclopentan-1-one is CC(=O)C[C@@]1(C)CCCC1=O.
What is the InChIKey of (2R)-2-methyl-2-(2-oxopropyl)cyclopentan-1-one?
The InChIKey is IYOCSTIWGCYCKJ-SECBINFHSA-N. The full InChI is InChI=1S/C9H14O2/c1-7(10)6-9(2)5-3-4-8(9)11/h3-6H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-2-methyl-2-(2-oxopropyl)cyclopentan-1-one?
(2R)-2-methyl-2-(2-oxopropyl)cyclopentan-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-(2-oxopropyl)cyclopentan-1-one is sourced from PubChem (CID 100985576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).