2-bicyclo[2.2.1]hept-5-enyl-(3-methylpiperidin-1-yl)methanone

C14H21NO — CID 12760882

IUPAC2-bicyclo[2.2.1]hept-5-enyl-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)C2CC3C=CC2C3)C1
InChIInChI=1S/C14H21NO/c1-10-3-2-6-15(9-10)14(16)13-8-11-4-5-12(13)7-11/h4-5,10-13H,2-3,6-9H2,1H3
InChIKeyABFVODLSARTRLV-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.46
Rot. Bonds1

About 2-bicyclo[2.2.1]hept-5-enyl-(3-methylpiperidin-1-yl)methanone

2-bicyclo[2.2.1]hept-5-enyl-(3-methylpiperidin-1-yl)methanone (PubChem CID 12760882) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enyl-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enyl-(3-methylpiperidin-1-yl)methanone
PubChem CID12760882
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-bicyclo[2.2.1]hept-5-enyl-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)C2CC3C=CC2C3)C1
InChIInChI=1S/C14H21NO/c1-10-3-2-6-15(9-10)14(16)13-8-11-4-5-12(13)7-11/h4-5,10-13H,2-3,6-9H2,1H3
InChIKeyABFVODLSARTRLV-UHFFFAOYSA-N
XLogP2.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-bicyclo[2.2.1]hept-5-enyl-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl-(3-methylpiperidin-1-yl)methanone (CID 12760882) is 2-bicyclo[2.2.1]hept-5-enyl-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enyl-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enyl-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)C2CC3C=CC2C3)C1.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enyl-(3-methylpiperidin-1-yl)methanone?
The InChIKey is ABFVODLSARTRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-3-2-6-15(9-10)14(16)13-8-11-4-5-12(13)7-11/h4-5,10-13H,2-3,6-9H2,1H3.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enyl-(3-methylpiperidin-1-yl)methanone?
2-bicyclo[2.2.1]hept-5-enyl-(3-methylpiperidin-1-yl)methanone has a molecular weight of 219.33 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enyl-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 12760882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).