N,N,7,7-tetramethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide

C12H19NO2 — CID 3045078

IUPACN,N,7,7-tetramethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCN(C)C(=O)C12CCC(CC1=O)C2(C)C
InChIInChI=1S/C12H19NO2/c1-11(2)8-5-6-12(11,9(14)7-8)10(15)13(3)4/h8H,5-7H2,1-4H3
InChIKeyBVUZNVUMCIWKRM-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.47
Rot. Bonds1

About N,N,7,7-tetramethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide

N,N,7,7-tetramethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 3045078) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N,N,7,7-tetramethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN,N,7,7-tetramethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID3045078
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN,N,7,7-tetramethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCN(C)C(=O)C12CCC(CC1=O)C2(C)C
InChIInChI=1S/C12H19NO2/c1-11(2)8-5-6-12(11,9(14)7-8)10(15)13(3)4/h8H,5-7H2,1-4H3
InChIKeyBVUZNVUMCIWKRM-UHFFFAOYSA-N
XLogP1.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.47
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 N,N,7,7-tetramethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N,N,7,7-tetramethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide (CID 3045078) is N,N,7,7-tetramethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N,N,7,7-tetramethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N,N,7,7-tetramethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide is CN(C)C(=O)C12CCC(CC1=O)C2(C)C.
What is the InChIKey of N,N,7,7-tetramethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is BVUZNVUMCIWKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-11(2)8-5-6-12(11,9(14)7-8)10(15)13(3)4/h8H,5-7H2,1-4H3.
What are the key properties of N,N,7,7-tetramethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide?
N,N,7,7-tetramethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,7,7-tetramethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 3045078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).