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

C11H17NO2 — CID 102547267

IUPACN,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCNC(=O)C12CCC(CC1=O)C2(C)C
InChIInChI=1S/C11H17NO2/c1-10(2)7-4-5-11(10,8(13)6-7)9(14)12-3/h7H,4-6H2,1-3H3,(H,12,14)
InChIKeyLIANGGWGDOAZNJ-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.13
Rot. Bonds1

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

N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 102547267) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID102547267
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCNC(=O)C12CCC(CC1=O)C2(C)C
InChIInChI=1S/C11H17NO2/c1-10(2)7-4-5-11(10,8(13)6-7)9(14)12-3/h7H,4-6H2,1-3H3,(H,12,14)
InChIKeyLIANGGWGDOAZNJ-UHFFFAOYSA-N
XLogP1.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(1S,4R)-7,7-dimethyl-N,2-dioxobicyclo[2.2.1]heptane-1-carboxamide
CID 102244184
7,7-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 18834316
N-(4-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 18834264
N-(2-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 18834254
7,7-dimethyl-N-(3-morpholin-4-ylpropyl)-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 18834163
N'-(2,4-dichlorobenzoyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbohydrazide
CID 18834286
ethyl 4-[(7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbonyl)amino]benzoate
CID 18834243
(1R,3R,4R)-3-[(1R,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbonyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 100974750
phenyl 7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylate
CID 18834306
7,7-dimethyl-N'-(2-nitrobenzoyl)-2-oxobicyclo[2.2.1]heptane-1-carbohydrazide
CID 18834279
methanol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 19002656
(1R,4R)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid
CID 134995170

Frequently Asked Questions

What is the IUPAC name of N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide (CID 102547267) is N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide is CNC(=O)C12CCC(CC1=O)C2(C)C.
What is the InChIKey of N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is LIANGGWGDOAZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-10(2)7-4-5-11(10,8(13)6-7)9(14)12-3/h7H,4-6H2,1-3H3,(H,12,14).
What are the key properties of N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide?
N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 195.26 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 102547267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).