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

C10H13NO3 — CID 102244184

IUPAC(1S,4R)-7,7-dimethyl-N,2-dioxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCC1(C)[C@@H]2CC[C@@]1(C(=O)N=O)C(=O)C2
InChIInChI=1S/C10H13NO3/c1-9(2)6-3-4-10(9,7(12)5-6)8(13)11-14/h6H,3-5H2,1-2H3/t6-,10+/m1/s1
InChIKeyGEHBFHBQWOVMJZ-LDWIPMOCSA-N
MW195.22 g/mol
LogP1.67
Rot. Bonds1

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

(1S,4R)-7,7-dimethyl-N,2-dioxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 102244184) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (1S,4R)-7,7-dimethyl-N,2-dioxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name(1S,4R)-7,7-dimethyl-N,2-dioxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID102244184
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(1S,4R)-7,7-dimethyl-N,2-dioxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCC1(C)[C@@H]2CC[C@@]1(C(=O)N=O)C(=O)C2
InChIInChI=1S/C10H13NO3/c1-9(2)6-3-4-10(9,7(12)5-6)8(13)11-14/h6H,3-5H2,1-2H3/t6-,10+/m1/s1
InChIKeyGEHBFHBQWOVMJZ-LDWIPMOCSA-N
XLogP1.67
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 102547267
(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
N-(4-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 18834264
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
1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;urea
CID 162060866
(1S,2Z,4S)-2-hydroxyimino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylate
CID 23309790
N-(2-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 18834254
N-ethyl-7,7-dimethyl-2-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide
CID 18834295
dibismuth;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;tricarbonate
CID 158108968
[1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-2-phenylethenyl]-trimethylazanium
CID 54524288

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-7,7-dimethyl-N,2-dioxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of (1S,4R)-7,7-dimethyl-N,2-dioxobicyclo[2.2.1]heptane-1-carboxamide (CID 102244184) is (1S,4R)-7,7-dimethyl-N,2-dioxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for (1S,4R)-7,7-dimethyl-N,2-dioxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for (1S,4R)-7,7-dimethyl-N,2-dioxobicyclo[2.2.1]heptane-1-carboxamide is CC1(C)[C@@H]2CC[C@@]1(C(=O)N=O)C(=O)C2.
What is the InChIKey of (1S,4R)-7,7-dimethyl-N,2-dioxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is GEHBFHBQWOVMJZ-LDWIPMOCSA-N. The full InChI is InChI=1S/C10H13NO3/c1-9(2)6-3-4-10(9,7(12)5-6)8(13)11-14/h6H,3-5H2,1-2H3/t6-,10+/m1/s1.
What are the key properties of (1S,4R)-7,7-dimethyl-N,2-dioxobicyclo[2.2.1]heptane-1-carboxamide?
(1S,4R)-7,7-dimethyl-N,2-dioxobicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 195.22 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-7,7-dimethyl-N,2-dioxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 102244184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).