1-prop-2-ynylpiperidin-2-one

C8H11NO — CID 13289794

IUPAC1-prop-2-ynylpiperidin-2-one
SMILESC#CCN1CCCCC1=O
InChIInChI=1S/C8H11NO/c1-2-6-9-7-4-3-5-8(9)10/h1H,3-7H2
InChIKeyCKLYEKVPUJOEPJ-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.63
Rot. Bonds1

About 1-prop-2-ynylpiperidin-2-one

1-prop-2-ynylpiperidin-2-one (PubChem CID 13289794) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 1-prop-2-ynylpiperidin-2-one.

Molecular Properties

Compound Name1-prop-2-ynylpiperidin-2-one
PubChem CID13289794
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name1-prop-2-ynylpiperidin-2-one
SMILESC#CCN1CCCCC1=O
InChIInChI=1S/C8H11NO/c1-2-6-9-7-4-3-5-8(9)10/h1H,3-7H2
InChIKeyCKLYEKVPUJOEPJ-UHFFFAOYSA-N
XLogP0.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.63
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

N-Methyl-2-piperidone
CID 13603
1-Ethylpiperidin-2-one
CID 12364385
1-(1-Piperidinyl)-2-propyn-1-one
CID 5093965
1-Pentanoylpiperidine
CID 304071
1-(Prop-2-yn-1-yl)piperidine-2,6-dione
CID 12605755
1-(Pent-4-yn-1-yl)piperidine-2,4-dione
CID 106219888
Piperidine, 1-(1-oxo-2-butynyl)-
CID 549204
1-(Piperidin-1-yl)hept-6-yn-1-one
CID 103907305
1-(Prop-2-yn-1-yl)piperidine-2,5-dione
CID 138040412
1-Propylpiperidin-2-one
CID 10942532
1-Hexylpiperidin-2-one
CID 13708114
1-(Fluoromethyl)piperidin-2-one
CID 89140311

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-ynylpiperidin-2-one?
The IUPAC name of 1-prop-2-ynylpiperidin-2-one (CID 13289794) is 1-prop-2-ynylpiperidin-2-one.
What is the SMILES notation for 1-prop-2-ynylpiperidin-2-one?
The canonical SMILES for 1-prop-2-ynylpiperidin-2-one is C#CCN1CCCCC1=O.
What is the InChIKey of 1-prop-2-ynylpiperidin-2-one?
The InChIKey is CKLYEKVPUJOEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-6-9-7-4-3-5-8(9)10/h1H,3-7H2.
What are the key properties of 1-prop-2-ynylpiperidin-2-one?
1-prop-2-ynylpiperidin-2-one has a molecular weight of 137.18 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-ynylpiperidin-2-one is sourced from PubChem (CID 13289794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).