N,N-dimethylbicyclo[2.2.2]octa-2,5-diene-2-carboxamide

C11H15NO — CID 134940899

IUPACN,N-dimethylbicyclo[2.2.2]octa-2,5-diene-2-carboxamide
SMILESCN(C)C(=O)C1=CC2C=CC1CC2
InChIInChI=1S/C11H15NO/c1-12(2)11(13)10-7-8-3-5-9(10)6-4-8/h3,5,7-9H,4,6H2,1-2H3
InChIKeyBJPPRSGWIRDQER-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.60
Rot. Bonds1

About N,N-dimethylbicyclo[2.2.2]octa-2,5-diene-2-carboxamide

N,N-dimethylbicyclo[2.2.2]octa-2,5-diene-2-carboxamide (PubChem CID 134940899) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N,N-dimethylbicyclo[2.2.2]octa-2,5-diene-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethylbicyclo[2.2.2]octa-2,5-diene-2-carboxamide
PubChem CID134940899
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN,N-dimethylbicyclo[2.2.2]octa-2,5-diene-2-carboxamide
SMILESCN(C)C(=O)C1=CC2C=CC1CC2
InChIInChI=1S/C11H15NO/c1-12(2)11(13)10-7-8-3-5-9(10)6-4-8/h3,5,7-9H,4,6H2,1-2H3
InChIKeyBJPPRSGWIRDQER-UHFFFAOYSA-N
XLogP1.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-Dimethylbicyclo[2.2.1]hept-2-ene-2-carboxamide
CID 86131923
N,N-dimethylbicyclo[2.2.1]hepta-2,5-diene-2-carboxamide
CID 134940893
(1S,5R)-N,N,6,6-tetramethylbicyclo[3.1.1]hept-2-ene-2-carboxamide
CID 10330238
6-hexyl-N-methylcyclohexene-1-carboxamide
CID 12587289
6-ethyl-N,N-diisopropyl-cyclohexene-1-carboxamide
CID 12947851
N,N-dimethyl-4-prop-1-en-2-ylcyclohexene-1-carboxamide
CID 10352593
N,N-diethyl-4-prop-1-en-2-ylcyclohexene-1-carboxamide
CID 10398600
N-methyl-4-prop-1-en-2-ylcyclohexene-1-carboxamide
CID 10442283
4-prop-1-en-2-yl-N,N-dipropylcyclohexene-1-carboxamide
CID 10444770
1-Cyclohexene-1-carboxamide, N,N-dimethyl-
CID 11019067
N,N,3-trimethylcyclopentene-1-carboxamide
CID 12779739
2-cyclohex-2-en-1-yl-N,N-dimethylacetamide
CID 14339057

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylbicyclo[2.2.2]octa-2,5-diene-2-carboxamide?
The IUPAC name of N,N-dimethylbicyclo[2.2.2]octa-2,5-diene-2-carboxamide (CID 134940899) is N,N-dimethylbicyclo[2.2.2]octa-2,5-diene-2-carboxamide.
What is the SMILES notation for N,N-dimethylbicyclo[2.2.2]octa-2,5-diene-2-carboxamide?
The canonical SMILES for N,N-dimethylbicyclo[2.2.2]octa-2,5-diene-2-carboxamide is CN(C)C(=O)C1=CC2C=CC1CC2.
What is the InChIKey of N,N-dimethylbicyclo[2.2.2]octa-2,5-diene-2-carboxamide?
The InChIKey is BJPPRSGWIRDQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-12(2)11(13)10-7-8-3-5-9(10)6-4-8/h3,5,7-9H,4,6H2,1-2H3.
What are the key properties of N,N-dimethylbicyclo[2.2.2]octa-2,5-diene-2-carboxamide?
N,N-dimethylbicyclo[2.2.2]octa-2,5-diene-2-carboxamide has a molecular weight of 177.25 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylbicyclo[2.2.2]octa-2,5-diene-2-carboxamide is sourced from PubChem (CID 134940899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).