N-benzyloxolan-2-imine

C11H13NO — CID 14529224

IUPACN-benzyloxolan-2-imine
SMILESc1ccc(C/N=C2/CCCO2)cc1
InChIInChI=1S/C11H13NO/c1-2-5-10(6-3-1)9-12-11-7-4-8-13-11/h1-3,5-6H,4,7-9H2/b12-11-
InChIKeyPIUXCTSTOCPAHB-QXMHVHEDSA-N
MW175.23 g/mol
LogP2.40
Rot. Bonds2

About N-benzyloxolan-2-imine

N-benzyloxolan-2-imine (PubChem CID 14529224) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is N-benzyloxolan-2-imine.

Molecular Properties

Compound NameN-benzyloxolan-2-imine
PubChem CID14529224
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC NameN-benzyloxolan-2-imine
SMILESc1ccc(C/N=C2/CCCO2)cc1
InChIInChI=1S/C11H13NO/c1-2-5-10(6-3-1)9-12-11-7-4-8-13-11/h1-3,5-6H,4,7-9H2/b12-11-
InChIKeyPIUXCTSTOCPAHB-QXMHVHEDSA-N
XLogP2.40
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyloxolan-2-imine?
The IUPAC name of N-benzyloxolan-2-imine (CID 14529224) is N-benzyloxolan-2-imine.
What is the SMILES notation for N-benzyloxolan-2-imine?
The canonical SMILES for N-benzyloxolan-2-imine is c1ccc(C/N=C2/CCCO2)cc1.
What is the InChIKey of N-benzyloxolan-2-imine?
The InChIKey is PIUXCTSTOCPAHB-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-5-10(6-3-1)9-12-11-7-4-8-13-11/h1-3,5-6H,4,7-9H2/b12-11-.
What are the key properties of N-benzyloxolan-2-imine?
N-benzyloxolan-2-imine has a molecular weight of 175.23 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyloxolan-2-imine is sourced from PubChem (CID 14529224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).