1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2,4-dione

C13H19NO2 — CID 79515455

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2,4-dione
SMILESO=C1CCN(CC2CC3CCC2C3)C(=O)C1
InChIInChI=1S/C13H19NO2/c15-12-3-4-14(13(16)7-12)8-11-6-9-1-2-10(11)5-9/h9-11H,1-8H2
InChIKeyGTFOJYXAOWVZQN-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.61
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2,4-dione

1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2,4-dione (PubChem CID 79515455) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2,4-dione.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2,4-dione
PubChem CID79515455
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2,4-dione
SMILESO=C1CCN(CC2CC3CCC2C3)C(=O)C1
InChIInChI=1S/C13H19NO2/c15-12-3-4-14(13(16)7-12)8-11-6-9-1-2-10(11)5-9/h9-11H,1-8H2
InChIKeyGTFOJYXAOWVZQN-UHFFFAOYSA-N
XLogP1.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-2,5-dione
CID 98186318
1-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-diazinane-2,4,6-trione
CID 112598016
3-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylimidazolidin-4-one
CID 83257279
6-(2-bicyclo[2.2.1]heptanylmethyl)-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one
CID 23554545
N-[1-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 79562792
1-(2-bicyclo[2.2.1]heptanylmethyl)azetidin-3-amine
CID 79558497
1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-2H-quinolin-5-amine
CID 79558495
1-(2-bicyclo[2.2.1]heptanylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 79551080
1-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-2,4-dione
CID 79516111
1-(2,2,2-trifluoroethyl)piperidine-2,4-dione
CID 79516449
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
1-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-2-one
CID 116618396

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2,4-dione?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2,4-dione (CID 79515455) is 1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2,4-dione.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2,4-dione?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2,4-dione is O=C1CCN(CC2CC3CCC2C3)C(=O)C1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2,4-dione?
The InChIKey is GTFOJYXAOWVZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c15-12-3-4-14(13(16)7-12)8-11-6-9-1-2-10(11)5-9/h9-11H,1-8H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2,4-dione?
1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2,4-dione has a molecular weight of 221.30 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2,4-dione is sourced from PubChem (CID 79515455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).