N-benzyl-7-oxabicyclo[2.2.1]hept-5-en-2-imine

C13H13NO — CID 14142913

IUPACN-benzyl-7-oxabicyclo[2.2.1]hept-5-en-2-imine
SMILESC1=CC2OC1C/C2=N\Cc1ccccc1
InChIInChI=1S/C13H13NO/c1-2-4-10(5-3-1)9-14-12-8-11-6-7-13(12)15-11/h1-7,11,13H,8-9H2/b14-12+
InChIKeyVWFYTAXMRQOTME-WYMLVPIESA-N
MW199.25 g/mol
LogP2.35
Rot. Bonds2

About N-benzyl-7-oxabicyclo[2.2.1]hept-5-en-2-imine

N-benzyl-7-oxabicyclo[2.2.1]hept-5-en-2-imine (PubChem CID 14142913) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is N-benzyl-7-oxabicyclo[2.2.1]hept-5-en-2-imine.

Molecular Properties

Compound NameN-benzyl-7-oxabicyclo[2.2.1]hept-5-en-2-imine
PubChem CID14142913
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC NameN-benzyl-7-oxabicyclo[2.2.1]hept-5-en-2-imine
SMILESC1=CC2OC1C/C2=N\Cc1ccccc1
InChIInChI=1S/C13H13NO/c1-2-4-10(5-3-1)9-14-12-8-11-6-7-13(12)15-11/h1-7,11,13H,8-9H2/b14-12+
InChIKeyVWFYTAXMRQOTME-WYMLVPIESA-N
XLogP2.35
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.35
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'}

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Related Compounds

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N-benzyl-5-bromo-7-oxabicyclo[2.2.1]hept-5-en-2-imine
CID 12130922
N-benzyloxan-2-imine
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CID 146162086
CID 146162086
(1R,6S)-4-phenyl-7-oxa-3-azabicyclo[4.1.0]hepta-2,4-diene
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CID 21813229
N-benzyl-4-methoxycyclohexan-1-imine
CID 19962576
N-benzyloxan-4-imine
CID 57179176
N-benzyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-imine
CID 59511519
4-Methyl-2-phenyl-2,5-dihydro-1,3-oxazole
CID 60033450
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CID 70608140

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-oxabicyclo[2.2.1]hept-5-en-2-imine?
The IUPAC name of N-benzyl-7-oxabicyclo[2.2.1]hept-5-en-2-imine (CID 14142913) is N-benzyl-7-oxabicyclo[2.2.1]hept-5-en-2-imine.
What is the SMILES notation for N-benzyl-7-oxabicyclo[2.2.1]hept-5-en-2-imine?
The canonical SMILES for N-benzyl-7-oxabicyclo[2.2.1]hept-5-en-2-imine is C1=CC2OC1C/C2=N\Cc1ccccc1.
What is the InChIKey of N-benzyl-7-oxabicyclo[2.2.1]hept-5-en-2-imine?
The InChIKey is VWFYTAXMRQOTME-WYMLVPIESA-N. The full InChI is InChI=1S/C13H13NO/c1-2-4-10(5-3-1)9-14-12-8-11-6-7-13(12)15-11/h1-7,11,13H,8-9H2/b14-12+.
What are the key properties of N-benzyl-7-oxabicyclo[2.2.1]hept-5-en-2-imine?
N-benzyl-7-oxabicyclo[2.2.1]hept-5-en-2-imine has a molecular weight of 199.25 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-oxabicyclo[2.2.1]hept-5-en-2-imine is sourced from PubChem (CID 14142913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).