2-prop-2-ynylcyclopentan-1-one

C8H10O — CID 12591147

IUPAC2-prop-2-ynylcyclopentan-1-one
SMILESC#CCC1CCCC1=O
InChIInChI=1S/C8H10O/c1-2-4-7-5-3-6-8(7)9/h1,7H,3-6H2
InChIKeyCLPCXIOMHWOYBD-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.38
Rot. Bonds1

About 2-prop-2-ynylcyclopentan-1-one

2-prop-2-ynylcyclopentan-1-one (PubChem CID 12591147) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 2-prop-2-ynylcyclopentan-1-one.

Molecular Properties

Compound Name2-prop-2-ynylcyclopentan-1-one
PubChem CID12591147
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name2-prop-2-ynylcyclopentan-1-one
SMILESC#CCC1CCCC1=O
InChIInChI=1S/C8H10O/c1-2-4-7-5-3-6-8(7)9/h1,7H,3-6H2
InChIKeyCLPCXIOMHWOYBD-UHFFFAOYSA-N
XLogP1.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-ynylcyclopentan-1-one?
The IUPAC name of 2-prop-2-ynylcyclopentan-1-one (CID 12591147) is 2-prop-2-ynylcyclopentan-1-one.
What is the SMILES notation for 2-prop-2-ynylcyclopentan-1-one?
The canonical SMILES for 2-prop-2-ynylcyclopentan-1-one is C#CCC1CCCC1=O.
What is the InChIKey of 2-prop-2-ynylcyclopentan-1-one?
The InChIKey is CLPCXIOMHWOYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-2-4-7-5-3-6-8(7)9/h1,7H,3-6H2.
What are the key properties of 2-prop-2-ynylcyclopentan-1-one?
2-prop-2-ynylcyclopentan-1-one has a molecular weight of 122.17 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-ynylcyclopentan-1-one is sourced from PubChem (CID 12591147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).