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

C15H23NO — CID 12760884

IUPAC2-bicyclo[2.2.1]hept-5-enyl-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)C1CC2C=CC1C2
InChIInChI=1S/C15H23NO/c1-2-13-5-3-4-8-16(13)15(17)14-10-11-6-7-12(14)9-11/h6-7,11-14H,2-5,8-10H2,1H3
InChIKeyGVKJEKOLWGCKIF-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.99
Rot. Bonds2

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

2-bicyclo[2.2.1]hept-5-enyl-(2-ethylpiperidin-1-yl)methanone (PubChem CID 12760884) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enyl-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enyl-(2-ethylpiperidin-1-yl)methanone
PubChem CID12760884
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-bicyclo[2.2.1]hept-5-enyl-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)C1CC2C=CC1C2
InChIInChI=1S/C15H23NO/c1-2-13-5-3-4-8-16(13)15(17)14-10-11-6-7-12(14)9-11/h6-7,11-14H,2-5,8-10H2,1H3
InChIKeyGVKJEKOLWGCKIF-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 43213005
(2-ethylpyrrolidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone
CID 130685547
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
7-azabicyclo[2.2.1]heptan-2-yl-(2-ethylazepan-1-yl)methanone
CID 112701878
(2-ethylpiperidin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone
CID 134055510
[2-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone
CID 109132625
[(2R)-2-ethylpiperidin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 124714524
(5-amino-2-methylcyclohexyl)-(2-ethylpiperidin-1-yl)methanone
CID 55116507
4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783975
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(2-ethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104912723
(2-ethylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103793731

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl-(2-ethylpiperidin-1-yl)methanone (CID 12760884) is 2-bicyclo[2.2.1]hept-5-enyl-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enyl-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enyl-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)C1CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enyl-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is GVKJEKOLWGCKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-13-5-3-4-8-16(13)15(17)14-10-11-6-7-12(14)9-11/h6-7,11-14H,2-5,8-10H2,1H3.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enyl-(2-ethylpiperidin-1-yl)methanone?
2-bicyclo[2.2.1]hept-5-enyl-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 233.35 g/mol, XLogP of 2.99, 2 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-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 12760884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).