1-(1-methylcyclopentyl)pent-3-yn-1-one

C11H16O — CID 114964878

IUPAC1-(1-methylcyclopentyl)pent-3-yn-1-one
SMILESCC#CCC(=O)C1(C)CCCC1
InChIInChI=1S/C11H16O/c1-3-4-7-10(12)11(2)8-5-6-9-11/h5-9H2,1-2H3
InChIKeyVEHRNAKGTHFREE-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.55
Rot. Bonds2

About 1-(1-methylcyclopentyl)pent-3-yn-1-one

1-(1-methylcyclopentyl)pent-3-yn-1-one (PubChem CID 114964878) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-(1-methylcyclopentyl)pent-3-yn-1-one.

Molecular Properties

Compound Name1-(1-methylcyclopentyl)pent-3-yn-1-one
PubChem CID114964878
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name1-(1-methylcyclopentyl)pent-3-yn-1-one
SMILESCC#CCC(=O)C1(C)CCCC1
InChIInChI=1S/C11H16O/c1-3-4-7-10(12)11(2)8-5-6-9-11/h5-9H2,1-2H3
InChIKeyVEHRNAKGTHFREE-UHFFFAOYSA-N
XLogP2.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methylcyclopentyl)hex-4-yn-1-one
CID 115801490
1-(1-aminocyclohexyl)pent-3-yn-1-one
CID 116550433
1-[1-(2-methylpropyl)cyclopentyl]pent-3-yn-1-one
CID 114964885
1-(1-piperidin-1-ylcyclopentyl)pent-3-yn-1-one
CID 79058731
1-(4-propylpiperidin-4-yl)pent-3-yn-1-one
CID 116569082
1-(1-ethylcyclopentyl)hex-4-yn-1-one
CID 115801596
1-(1-phenylcyclobutyl)pent-3-yn-1-one
CID 63078433
3-methyl-N-pent-3-ynylpiperidine-3-carboxamide
CID 116644144
1-(4-methoxyoxan-4-yl)pent-3-yn-1-one
CID 116748548
4-methyl-1-(1-methylcyclopentyl)pentan-1-one
CID 114966745
2-cyclobutyl-1-(1-methylcyclohexyl)ethanone
CID 106829597
2-(chloromethoxy)-1-(1-methylcyclohexyl)ethanone
CID 151738393

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopentyl)pent-3-yn-1-one?
The IUPAC name of 1-(1-methylcyclopentyl)pent-3-yn-1-one (CID 114964878) is 1-(1-methylcyclopentyl)pent-3-yn-1-one.
What is the SMILES notation for 1-(1-methylcyclopentyl)pent-3-yn-1-one?
The canonical SMILES for 1-(1-methylcyclopentyl)pent-3-yn-1-one is CC#CCC(=O)C1(C)CCCC1.
What is the InChIKey of 1-(1-methylcyclopentyl)pent-3-yn-1-one?
The InChIKey is VEHRNAKGTHFREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-3-4-7-10(12)11(2)8-5-6-9-11/h5-9H2,1-2H3.
What are the key properties of 1-(1-methylcyclopentyl)pent-3-yn-1-one?
1-(1-methylcyclopentyl)pent-3-yn-1-one has a molecular weight of 164.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopentyl)pent-3-yn-1-one is sourced from PubChem (CID 114964878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).