4-(2-bicyclo[2.2.1]hept-5-enyl)-N-methoxybut-3-en-2-imine

C12H17NO — CID 156633830

IUPAC4-(2-bicyclo[2.2.1]hept-5-enyl)-N-methoxybut-3-en-2-imine
SMILESCON=C(C)C=CC1CC2C=CC1C2
InChIInChI=1S/C12H17NO/c1-9(13-14-2)3-5-11-7-10-4-6-12(11)8-10/h3-6,10-12H,7-8H2,1-2H3
InChIKeyGAMXTNKNBGHXTB-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.78
Rot. Bonds3

About 4-(2-bicyclo[2.2.1]hept-5-enyl)-N-methoxybut-3-en-2-imine

4-(2-bicyclo[2.2.1]hept-5-enyl)-N-methoxybut-3-en-2-imine (PubChem CID 156633830) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]hept-5-enyl)-N-methoxybut-3-en-2-imine.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]hept-5-enyl)-N-methoxybut-3-en-2-imine
PubChem CID156633830
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-(2-bicyclo[2.2.1]hept-5-enyl)-N-methoxybut-3-en-2-imine
SMILESCON=C(C)C=CC1CC2C=CC1C2
InChIInChI=1S/C12H17NO/c1-9(13-14-2)3-5-11-7-10-4-6-12(11)8-10/h3-6,10-12H,7-8H2,1-2H3
InChIKeyGAMXTNKNBGHXTB-UHFFFAOYSA-N
XLogP2.78
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]hept-5-enyl)-N-methoxybut-3-en-2-imine?
The IUPAC name of 4-(2-bicyclo[2.2.1]hept-5-enyl)-N-methoxybut-3-en-2-imine (CID 156633830) is 4-(2-bicyclo[2.2.1]hept-5-enyl)-N-methoxybut-3-en-2-imine.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]hept-5-enyl)-N-methoxybut-3-en-2-imine?
The canonical SMILES for 4-(2-bicyclo[2.2.1]hept-5-enyl)-N-methoxybut-3-en-2-imine is CON=C(C)C=CC1CC2C=CC1C2.
What is the InChIKey of 4-(2-bicyclo[2.2.1]hept-5-enyl)-N-methoxybut-3-en-2-imine?
The InChIKey is GAMXTNKNBGHXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(13-14-2)3-5-11-7-10-4-6-12(11)8-10/h3-6,10-12H,7-8H2,1-2H3.
What are the key properties of 4-(2-bicyclo[2.2.1]hept-5-enyl)-N-methoxybut-3-en-2-imine?
4-(2-bicyclo[2.2.1]hept-5-enyl)-N-methoxybut-3-en-2-imine has a molecular weight of 191.27 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]hept-5-enyl)-N-methoxybut-3-en-2-imine is sourced from PubChem (CID 156633830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).