1-(2-prop-2-ynylcyclopentyl)ethanone

C10H14O — CID 12676535

IUPAC1-(2-prop-2-ynylcyclopentyl)ethanone
SMILESC#CCC1CCCC1C(C)=O
InChIInChI=1S/C10H14O/c1-3-5-9-6-4-7-10(9)8(2)11/h1,9-10H,4-7H2,2H3
InChIKeyMAYZMMBJQDDVQS-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.02
Rot. Bonds2

About 1-(2-prop-2-ynylcyclopentyl)ethanone

1-(2-prop-2-ynylcyclopentyl)ethanone (PubChem CID 12676535) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-(2-prop-2-ynylcyclopentyl)ethanone.

Molecular Properties

Compound Name1-(2-prop-2-ynylcyclopentyl)ethanone
PubChem CID12676535
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1-(2-prop-2-ynylcyclopentyl)ethanone
SMILESC#CCC1CCCC1C(C)=O
InChIInChI=1S/C10H14O/c1-3-5-9-6-4-7-10(9)8(2)11/h1,9-10H,4-7H2,2H3
InChIKeyMAYZMMBJQDDVQS-UHFFFAOYSA-N
XLogP2.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.02
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 1-(2-prop-2-ynylcyclopentyl)ethanone?
The IUPAC name of 1-(2-prop-2-ynylcyclopentyl)ethanone (CID 12676535) is 1-(2-prop-2-ynylcyclopentyl)ethanone.
What is the SMILES notation for 1-(2-prop-2-ynylcyclopentyl)ethanone?
The canonical SMILES for 1-(2-prop-2-ynylcyclopentyl)ethanone is C#CCC1CCCC1C(C)=O.
What is the InChIKey of 1-(2-prop-2-ynylcyclopentyl)ethanone?
The InChIKey is MAYZMMBJQDDVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-3-5-9-6-4-7-10(9)8(2)11/h1,9-10H,4-7H2,2H3.
What are the key properties of 1-(2-prop-2-ynylcyclopentyl)ethanone?
1-(2-prop-2-ynylcyclopentyl)ethanone has a molecular weight of 150.22 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-ynylcyclopentyl)ethanone is sourced from PubChem (CID 12676535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).