1-[(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-2,4-dione

C15H23NO2 — CID 90885632

IUPAC1-[(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-2,4-dione
SMILESCC1(C)C(N2CCC(=O)CC2=O)[C@@]2(C)CC[C@@H]1C2
InChIInChI=1S/C15H23NO2/c1-14(2)10-4-6-15(3,9-10)13(14)16-7-5-11(17)8-12(16)18/h10,13H,4-9H2,1-3H3/t10-,13?,15+/m1/s1
InChIKeyVJWZKBPDANWLQG-HIHIVVGNSA-N
MW249.35 g/mol
LogP2.39
Rot. Bonds1

About 1-[(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-2,4-dione

1-[(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-2,4-dione (PubChem CID 90885632) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-2,4-dione.

Molecular Properties

Compound Name1-[(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-2,4-dione
PubChem CID90885632
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-2,4-dione
SMILESCC1(C)C(N2CCC(=O)CC2=O)[C@@]2(C)CC[C@@H]1C2
InChIInChI=1S/C15H23NO2/c1-14(2)10-4-6-15(3,9-10)13(14)16-7-5-11(17)8-12(16)18/h10,13H,4-9H2,1-3H3/t10-,13?,15+/m1/s1
InChIKeyVJWZKBPDANWLQG-HIHIVVGNSA-N
XLogP2.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.39
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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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-2,4-dione?
The IUPAC name of 1-[(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-2,4-dione (CID 90885632) is 1-[(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-2,4-dione.
What is the SMILES notation for 1-[(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-2,4-dione?
The canonical SMILES for 1-[(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-2,4-dione is CC1(C)C(N2CCC(=O)CC2=O)[C@@]2(C)CC[C@@H]1C2.
What is the InChIKey of 1-[(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-2,4-dione?
The InChIKey is VJWZKBPDANWLQG-HIHIVVGNSA-N. The full InChI is InChI=1S/C15H23NO2/c1-14(2)10-4-6-15(3,9-10)13(14)16-7-5-11(17)8-12(16)18/h10,13H,4-9H2,1-3H3/t10-,13?,15+/m1/s1.
What are the key properties of 1-[(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-2,4-dione?
1-[(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-2,4-dione has a molecular weight of 249.35 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-2,4-dione is sourced from PubChem (CID 90885632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).