2-hydroxy-2-methyl-5-propan-2-ylidenecyclopentan-1-one

C9H14O2 — CID 91374834

IUPAC2-hydroxy-2-methyl-5-propan-2-ylidenecyclopentan-1-one
SMILESCC(C)=C1CCC(C)(O)C1=O
InChIInChI=1S/C9H14O2/c1-6(2)7-4-5-9(3,11)8(7)10/h11H,4-5H2,1-3H3
InChIKeyIAOZPJOIRJATEC-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.44
Rot. Bonds

About 2-hydroxy-2-methyl-5-propan-2-ylidenecyclopentan-1-one

2-hydroxy-2-methyl-5-propan-2-ylidenecyclopentan-1-one (PubChem CID 91374834) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-5-propan-2-ylidenecyclopentan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-5-propan-2-ylidenecyclopentan-1-one
PubChem CID91374834
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-hydroxy-2-methyl-5-propan-2-ylidenecyclopentan-1-one
SMILESCC(C)=C1CCC(C)(O)C1=O
InChIInChI=1S/C9H14O2/c1-6(2)7-4-5-9(3,11)8(7)10/h11H,4-5H2,1-3H3
InChIKeyIAOZPJOIRJATEC-UHFFFAOYSA-N
XLogP1.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-5-propan-2-ylidenecyclopentan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-5-propan-2-ylidenecyclopentan-1-one (CID 91374834) is 2-hydroxy-2-methyl-5-propan-2-ylidenecyclopentan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-5-propan-2-ylidenecyclopentan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-5-propan-2-ylidenecyclopentan-1-one is CC(C)=C1CCC(C)(O)C1=O.
What is the InChIKey of 2-hydroxy-2-methyl-5-propan-2-ylidenecyclopentan-1-one?
The InChIKey is IAOZPJOIRJATEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-6(2)7-4-5-9(3,11)8(7)10/h11H,4-5H2,1-3H3.
What are the key properties of 2-hydroxy-2-methyl-5-propan-2-ylidenecyclopentan-1-one?
2-hydroxy-2-methyl-5-propan-2-ylidenecyclopentan-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-5-propan-2-ylidenecyclopentan-1-one is sourced from PubChem (CID 91374834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).