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

C12H17NO3 — CID 51861364

IUPAC(1R,4R)-N,4,7,7-tetramethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCNC(=O)[C@@]12CC[C@@](C)(C(=O)C1=O)C2(C)C
InChIInChI=1S/C12H17NO3/c1-10(2)11(3)5-6-12(10,9(16)13-4)8(15)7(11)14/h5-6H2,1-4H3,(H,13,16)/t11-,12+/m0/s1
InChIKeyVILACKBQXRWSAV-NWDGAFQWSA-N
MW223.27 g/mol
LogP0.70
Rot. Bonds1

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

(1R,4R)-N,4,7,7-tetramethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 51861364) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is (1R,4R)-N,4,7,7-tetramethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name(1R,4R)-N,4,7,7-tetramethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID51861364
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name(1R,4R)-N,4,7,7-tetramethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCNC(=O)[C@@]12CC[C@@](C)(C(=O)C1=O)C2(C)C
InChIInChI=1S/C12H17NO3/c1-10(2)11(3)5-6-12(10,9(16)13-4)8(15)7(11)14/h5-6H2,1-4H3,(H,13,16)/t11-,12+/m0/s1
InChIKeyVILACKBQXRWSAV-NWDGAFQWSA-N
XLogP0.70
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.70
H-Bond Donors ≤ 51
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,4,7,7-tetramethyl-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,4,7,7-tetramethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of (1R,4R)-N,4,7,7-tetramethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide (CID 51861364) is (1R,4R)-N,4,7,7-tetramethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for (1R,4R)-N,4,7,7-tetramethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for (1R,4R)-N,4,7,7-tetramethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide is CNC(=O)[C@@]12CC[C@@](C)(C(=O)C1=O)C2(C)C.
What is the InChIKey of (1R,4R)-N,4,7,7-tetramethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is VILACKBQXRWSAV-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H17NO3/c1-10(2)11(3)5-6-12(10,9(16)13-4)8(15)7(11)14/h5-6H2,1-4H3,(H,13,16)/t11-,12+/m0/s1.
What are the key properties of (1R,4R)-N,4,7,7-tetramethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide?
(1R,4R)-N,4,7,7-tetramethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 223.27 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-N,4,7,7-tetramethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 51861364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).