2-(1-but-3-en-2-ylpiperidin-2-yl)cyclopentan-1-one

C14H23NO — CID 79545767

IUPAC2-(1-but-3-en-2-ylpiperidin-2-yl)cyclopentan-1-one
SMILESC=CC(C)N1CCCCC1C1CCCC1=O
InChIInChI=1S/C14H23NO/c1-3-11(2)15-10-5-4-8-13(15)12-7-6-9-14(12)16/h3,11-13H,1,4-10H2,2H3
InChIKeyHGOQOMYCPWACRQ-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.78
Rot. Bonds3

About 2-(1-but-3-en-2-ylpiperidin-2-yl)cyclopentan-1-one

2-(1-but-3-en-2-ylpiperidin-2-yl)cyclopentan-1-one (PubChem CID 79545767) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(1-but-3-en-2-ylpiperidin-2-yl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(1-but-3-en-2-ylpiperidin-2-yl)cyclopentan-1-one
PubChem CID79545767
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(1-but-3-en-2-ylpiperidin-2-yl)cyclopentan-1-one
SMILESC=CC(C)N1CCCCC1C1CCCC1=O
InChIInChI=1S/C14H23NO/c1-3-11(2)15-10-5-4-8-13(15)12-7-6-9-14(12)16/h3,11-13H,1,4-10H2,2H3
InChIKeyHGOQOMYCPWACRQ-UHFFFAOYSA-N
XLogP2.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-but-3-en-2-ylpiperidin-2-yl)cyclopentan-1-one?
The IUPAC name of 2-(1-but-3-en-2-ylpiperidin-2-yl)cyclopentan-1-one (CID 79545767) is 2-(1-but-3-en-2-ylpiperidin-2-yl)cyclopentan-1-one.
What is the SMILES notation for 2-(1-but-3-en-2-ylpiperidin-2-yl)cyclopentan-1-one?
The canonical SMILES for 2-(1-but-3-en-2-ylpiperidin-2-yl)cyclopentan-1-one is C=CC(C)N1CCCCC1C1CCCC1=O.
What is the InChIKey of 2-(1-but-3-en-2-ylpiperidin-2-yl)cyclopentan-1-one?
The InChIKey is HGOQOMYCPWACRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-11(2)15-10-5-4-8-13(15)12-7-6-9-14(12)16/h3,11-13H,1,4-10H2,2H3.
What are the key properties of 2-(1-but-3-en-2-ylpiperidin-2-yl)cyclopentan-1-one?
2-(1-but-3-en-2-ylpiperidin-2-yl)cyclopentan-1-one has a molecular weight of 221.34 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-but-3-en-2-ylpiperidin-2-yl)cyclopentan-1-one is sourced from PubChem (CID 79545767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).