3-amino-N,N-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxamide

C10H16N2O — CID 66662786

IUPAC3-amino-N,N-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCN(C)C(=O)C1C2C=CC(C2)C1N
InChIInChI=1S/C10H16N2O/c1-12(2)10(13)8-6-3-4-7(5-6)9(8)11/h3-4,6-9H,5,11H2,1-2H3
InChIKeyZQRQEGGPOBYCFE-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.22
Rot. Bonds1

About 3-amino-N,N-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxamide

3-amino-N,N-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 66662786) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-amino-N,N-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N,N-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID66662786
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-amino-N,N-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCN(C)C(=O)C1C2C=CC(C2)C1N
InChIInChI=1S/C10H16N2O/c1-12(2)10(13)8-6-3-4-7(5-6)9(8)11/h3-4,6-9H,5,11H2,1-2H3
InChIKeyZQRQEGGPOBYCFE-UHFFFAOYSA-N
XLogP0.22
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 62268447
3-Aminobicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 2724816
N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 3438395
(1r,2r,3s,4s)-3-Aminobicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 11886826
rel-(1R,2R,3S,4S)-3-Aminobicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42580098
((1R,2R,3S,4S)-3-Carbamoyl-bicyclo[2.2.1]hept-5-en-2-yl)-carbamic acid tert-butyl ester
CID 67264027
(1R,2R,3S,4R)-3-[(2,2,2-trifluoroacetyl)amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 57708358
(1R,2S,4R)-3-[(2,2,2-trifluoroacetyl)amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 57708359
(1R,2S,3S,4R)-3-[(2,2,2-trifluoroacetyl)amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 57776247
N,N-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 57885496
3-[(2,2,2-Trifluoroacetyl)amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 57885498
(1R,3R,4S)-3-[(2,2,2-trifluoroacetyl)amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 58601029

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of 3-amino-N,N-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 66662786) is 3-amino-N,N-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for 3-amino-N,N-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for 3-amino-N,N-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxamide is CN(C)C(=O)C1C2C=CC(C2)C1N.
What is the InChIKey of 3-amino-N,N-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is ZQRQEGGPOBYCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-12(2)10(13)8-6-3-4-7(5-6)9(8)11/h3-4,6-9H,5,11H2,1-2H3.
What are the key properties of 3-amino-N,N-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
3-amino-N,N-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 180.25 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 66662786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).