1-azabicyclo[2.2.1]heptan-3-yl 4,5-bis(ethenyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboximidate

C17H25N3O — CID 156731802

IUPAC1-azabicyclo[2.2.1]heptan-3-yl 4,5-bis(ethenyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboximidate
SMILESC=CC1=C(C=C)CN(/C(=N\C)OC2CN3CCC2C3)CC1
InChIInChI=1S/C17H25N3O/c1-4-13-7-9-20(11-14(13)5-2)17(18-3)21-16-12-19-8-6-15(16)10-19/h4-5,15-16H,1-2,6-12H2,3H3/b18-17+
InChIKeyRBTSKGHGEXXLEZ-ISLYRVAYSA-N
MW287.41 g/mol
LogP2.07
Rot. Bonds3

About 1-azabicyclo[2.2.1]heptan-3-yl 4,5-bis(ethenyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboximidate

1-azabicyclo[2.2.1]heptan-3-yl 4,5-bis(ethenyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboximidate (PubChem CID 156731802) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-azabicyclo[2.2.1]heptan-3-yl 4,5-bis(ethenyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboximidate.

Molecular Properties

Compound Name1-azabicyclo[2.2.1]heptan-3-yl 4,5-bis(ethenyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboximidate
PubChem CID156731802
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-azabicyclo[2.2.1]heptan-3-yl 4,5-bis(ethenyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboximidate
SMILESC=CC1=C(C=C)CN(/C(=N\C)OC2CN3CCC2C3)CC1
InChIInChI=1S/C17H25N3O/c1-4-13-7-9-20(11-14(13)5-2)17(18-3)21-16-12-19-8-6-15(16)10-19/h4-5,15-16H,1-2,6-12H2,3H3/b18-17+
InChIKeyRBTSKGHGEXXLEZ-ISLYRVAYSA-N
XLogP2.07
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.1]heptan-3-yl 4,5-bis(ethenyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboximidate?
The IUPAC name of 1-azabicyclo[2.2.1]heptan-3-yl 4,5-bis(ethenyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboximidate (CID 156731802) is 1-azabicyclo[2.2.1]heptan-3-yl 4,5-bis(ethenyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboximidate.
What is the SMILES notation for 1-azabicyclo[2.2.1]heptan-3-yl 4,5-bis(ethenyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboximidate?
The canonical SMILES for 1-azabicyclo[2.2.1]heptan-3-yl 4,5-bis(ethenyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboximidate is C=CC1=C(C=C)CN(/C(=N\C)OC2CN3CCC2C3)CC1.
What is the InChIKey of 1-azabicyclo[2.2.1]heptan-3-yl 4,5-bis(ethenyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboximidate?
The InChIKey is RBTSKGHGEXXLEZ-ISLYRVAYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-13-7-9-20(11-14(13)5-2)17(18-3)21-16-12-19-8-6-15(16)10-19/h4-5,15-16H,1-2,6-12H2,3H3/b18-17+.
What are the key properties of 1-azabicyclo[2.2.1]heptan-3-yl 4,5-bis(ethenyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboximidate?
1-azabicyclo[2.2.1]heptan-3-yl 4,5-bis(ethenyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboximidate has a molecular weight of 287.41 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.1]heptan-3-yl 4,5-bis(ethenyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboximidate is sourced from PubChem (CID 156731802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).