3-cyclohept-2-en-1-ylpiperidin-4-one

C12H19NO — CID 137443949

IUPAC3-cyclohept-2-en-1-ylpiperidin-4-one
SMILESO=C1CCNCC1C1C=CCCCC1
InChIInChI=1S/C12H19NO/c14-12-7-8-13-9-11(12)10-5-3-1-2-4-6-10/h3,5,10-11,13H,1-2,4,6-9H2
InChIKeyKWEVUVDQHXDPCG-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.91
Rot. Bonds1

About 3-cyclohept-2-en-1-ylpiperidin-4-one

3-cyclohept-2-en-1-ylpiperidin-4-one (PubChem CID 137443949) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-cyclohept-2-en-1-ylpiperidin-4-one.

Molecular Properties

Compound Name3-cyclohept-2-en-1-ylpiperidin-4-one
PubChem CID137443949
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-cyclohept-2-en-1-ylpiperidin-4-one
SMILESO=C1CCNCC1C1C=CCCCC1
InChIInChI=1S/C12H19NO/c14-12-7-8-13-9-11(12)10-5-3-1-2-4-6-10/h3,5,10-11,13H,1-2,4,6-9H2
InChIKeyKWEVUVDQHXDPCG-UHFFFAOYSA-N
XLogP1.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
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 3-cyclohept-2-en-1-ylpiperidin-4-one?
The IUPAC name of 3-cyclohept-2-en-1-ylpiperidin-4-one (CID 137443949) is 3-cyclohept-2-en-1-ylpiperidin-4-one.
What is the SMILES notation for 3-cyclohept-2-en-1-ylpiperidin-4-one?
The canonical SMILES for 3-cyclohept-2-en-1-ylpiperidin-4-one is O=C1CCNCC1C1C=CCCCC1.
What is the InChIKey of 3-cyclohept-2-en-1-ylpiperidin-4-one?
The InChIKey is KWEVUVDQHXDPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c14-12-7-8-13-9-11(12)10-5-3-1-2-4-6-10/h3,5,10-11,13H,1-2,4,6-9H2.
What are the key properties of 3-cyclohept-2-en-1-ylpiperidin-4-one?
3-cyclohept-2-en-1-ylpiperidin-4-one has a molecular weight of 193.29 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohept-2-en-1-ylpiperidin-4-one is sourced from PubChem (CID 137443949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).