2-(hydroxymethyl)-2-prop-2-enylcyclopentan-1-one

C9H14O2 — CID 45098397

IUPAC2-(hydroxymethyl)-2-prop-2-enylcyclopentan-1-one
SMILESC=CCC1(CO)CCCC1=O
InChIInChI=1S/C9H14O2/c1-2-5-9(7-10)6-3-4-8(9)11/h2,10H,1,3-7H2
InChIKeyKJVOAOZNEGCSKT-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.29
Rot. Bonds3

About 2-(hydroxymethyl)-2-prop-2-enylcyclopentan-1-one

2-(hydroxymethyl)-2-prop-2-enylcyclopentan-1-one (PubChem CID 45098397) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-prop-2-enylcyclopentan-1-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-prop-2-enylcyclopentan-1-one
PubChem CID45098397
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-(hydroxymethyl)-2-prop-2-enylcyclopentan-1-one
SMILESC=CCC1(CO)CCCC1=O
InChIInChI=1S/C9H14O2/c1-2-5-9(7-10)6-3-4-8(9)11/h2,10H,1,3-7H2
InChIKeyKJVOAOZNEGCSKT-UHFFFAOYSA-N
XLogP1.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-prop-2-enylcyclopentan-1-one?
The IUPAC name of 2-(hydroxymethyl)-2-prop-2-enylcyclopentan-1-one (CID 45098397) is 2-(hydroxymethyl)-2-prop-2-enylcyclopentan-1-one.
What is the SMILES notation for 2-(hydroxymethyl)-2-prop-2-enylcyclopentan-1-one?
The canonical SMILES for 2-(hydroxymethyl)-2-prop-2-enylcyclopentan-1-one is C=CCC1(CO)CCCC1=O.
What is the InChIKey of 2-(hydroxymethyl)-2-prop-2-enylcyclopentan-1-one?
The InChIKey is KJVOAOZNEGCSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-5-9(7-10)6-3-4-8(9)11/h2,10H,1,3-7H2.
What are the key properties of 2-(hydroxymethyl)-2-prop-2-enylcyclopentan-1-one?
2-(hydroxymethyl)-2-prop-2-enylcyclopentan-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-prop-2-enylcyclopentan-1-one is sourced from PubChem (CID 45098397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).