3-piperidin-1-ylcyclobut-2-en-1-one

C9H13NO — CID 58237412

IUPAC3-piperidin-1-ylcyclobut-2-en-1-one
SMILESO=C1C=C(N2CCCCC2)C1
InChIInChI=1S/C9H13NO/c11-9-6-8(7-9)10-4-2-1-3-5-10/h6H,1-5,7H2
InChIKeyJLHSHJXPPBIAMS-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.33
Rot. Bonds1

About 3-piperidin-1-ylcyclobut-2-en-1-one

3-piperidin-1-ylcyclobut-2-en-1-one (PubChem CID 58237412) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-piperidin-1-ylcyclobut-2-en-1-one.

Molecular Properties

Compound Name3-piperidin-1-ylcyclobut-2-en-1-one
PubChem CID58237412
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3-piperidin-1-ylcyclobut-2-en-1-one
SMILESO=C1C=C(N2CCCCC2)C1
InChIInChI=1S/C9H13NO/c11-9-6-8(7-9)10-4-2-1-3-5-10/h6H,1-5,7H2
InChIKeyJLHSHJXPPBIAMS-UHFFFAOYSA-N
XLogP1.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylcyclobut-2-en-1-one?
The IUPAC name of 3-piperidin-1-ylcyclobut-2-en-1-one (CID 58237412) is 3-piperidin-1-ylcyclobut-2-en-1-one.
What is the SMILES notation for 3-piperidin-1-ylcyclobut-2-en-1-one?
The canonical SMILES for 3-piperidin-1-ylcyclobut-2-en-1-one is O=C1C=C(N2CCCCC2)C1.
What is the InChIKey of 3-piperidin-1-ylcyclobut-2-en-1-one?
The InChIKey is JLHSHJXPPBIAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c11-9-6-8(7-9)10-4-2-1-3-5-10/h6H,1-5,7H2.
What are the key properties of 3-piperidin-1-ylcyclobut-2-en-1-one?
3-piperidin-1-ylcyclobut-2-en-1-one has a molecular weight of 151.21 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylcyclobut-2-en-1-one is sourced from PubChem (CID 58237412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).