1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-2,5-dione

C12H17NO2 — CID 98186318

IUPAC1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1C[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C12H17NO2/c14-11-3-4-12(15)13(11)7-10-6-8-1-2-9(10)5-8/h8-10H,1-7H2/t8-,9-,10+/m0/s1
InChIKeyZLGRONYEMIIBEG-LPEHRKFASA-N
MW207.27 g/mol
LogP1.57
Rot. Bonds2

About 1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-2,5-dione

1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-2,5-dione (PubChem CID 98186318) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-2,5-dione
PubChem CID98186318
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1C[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C12H17NO2/c14-11-3-4-12(15)13(11)7-10-6-8-1-2-9(10)5-8/h8-10H,1-7H2/t8-,9-,10+/m0/s1
InChIKeyZLGRONYEMIIBEG-LPEHRKFASA-N
XLogP1.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-diazinane-2,4,6-trione
CID 112598016
1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2,4-dione
CID 79515455
1-(2-bicyclo[2.2.1]heptanylmethyl)-4,7-difluoroindole-2,3-dione
CID 83206691
3-[1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dioxopyrrolidin-3-yl]-1-ethylpyrrolidine-2,5-dione;1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrole-2,5-dione;1-ethylpyrrole-2,5-dione
CID 157390306
3-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylimidazolidin-4-one
CID 83257279
1-(2-bicyclo[2.2.1]heptanylmethyl)-7-chloroindole-2,3-dione
CID 79563130
(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
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-7-fluoroindole-2,3-dione
CID 79563135
1-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-6-fluoroindole-2,3-dione
CID 79563139
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl chloride
CID 124526975
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-2,5-dione (CID 98186318) is 1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1C[C@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of 1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-2,5-dione?
The InChIKey is ZLGRONYEMIIBEG-LPEHRKFASA-N. The full InChI is InChI=1S/C12H17NO2/c14-11-3-4-12(15)13(11)7-10-6-8-1-2-9(10)5-8/h8-10H,1-7H2/t8-,9-,10+/m0/s1.
What are the key properties of 1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-2,5-dione?
1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-2,5-dione has a molecular weight of 207.27 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 98186318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).