(1R,4R)-N,N,4,7,7-pentamethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide

C13H19NO3 — CID 51861366

IUPAC(1R,4R)-N,N,4,7,7-pentamethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCN(C)C(=O)[C@@]12CC[C@@](C)(C(=O)C1=O)C2(C)C
InChIInChI=1S/C13H19NO3/c1-11(2)12(3)6-7-13(11,9(16)8(12)15)10(17)14(4)5/h6-7H2,1-5H3/t12-,13+/m0/s1
InChIKeyCGLPZKCORWVQRG-QWHCGFSZSA-N
MW237.30 g/mol
LogP1.04
Rot. Bonds1

About (1R,4R)-N,N,4,7,7-pentamethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide

(1R,4R)-N,N,4,7,7-pentamethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 51861366) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (1R,4R)-N,N,4,7,7-pentamethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name(1R,4R)-N,N,4,7,7-pentamethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID51861366
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(1R,4R)-N,N,4,7,7-pentamethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCN(C)C(=O)[C@@]12CC[C@@](C)(C(=O)C1=O)C2(C)C
InChIInChI=1S/C13H19NO3/c1-11(2)12(3)6-7-13(11,9(16)8(12)15)10(17)14(4)5/h6-7H2,1-5H3/t12-,13+/m0/s1
InChIKeyCGLPZKCORWVQRG-QWHCGFSZSA-N
XLogP1.04
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze (1R,4R)-N,N,4,7,7-pentamethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-N,N,4,7,7-pentamethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of (1R,4R)-N,N,4,7,7-pentamethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide (CID 51861366) is (1R,4R)-N,N,4,7,7-pentamethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for (1R,4R)-N,N,4,7,7-pentamethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for (1R,4R)-N,N,4,7,7-pentamethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide is CN(C)C(=O)[C@@]12CC[C@@](C)(C(=O)C1=O)C2(C)C.
What is the InChIKey of (1R,4R)-N,N,4,7,7-pentamethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is CGLPZKCORWVQRG-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H19NO3/c1-11(2)12(3)6-7-13(11,9(16)8(12)15)10(17)14(4)5/h6-7H2,1-5H3/t12-,13+/m0/s1.
What are the key properties of (1R,4R)-N,N,4,7,7-pentamethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide?
(1R,4R)-N,N,4,7,7-pentamethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-N,N,4,7,7-pentamethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 51861366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).