N-benzyl-3-methyloxolan-2-imine

C12H15NO — CID 11084634

IUPACN-benzyl-3-methyloxolan-2-imine
SMILESCC1CCO/C1=N\Cc1ccccc1
InChIInChI=1S/C12H15NO/c1-10-7-8-14-12(10)13-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3/b13-12-
InChIKeyUNISNZZEGAXGKN-SEYXRHQNSA-N
MW189.26 g/mol
LogP2.64
Rot. Bonds2

About N-benzyl-3-methyloxolan-2-imine

N-benzyl-3-methyloxolan-2-imine (PubChem CID 11084634) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is N-benzyl-3-methyloxolan-2-imine.

Molecular Properties

Compound NameN-benzyl-3-methyloxolan-2-imine
PubChem CID11084634
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC NameN-benzyl-3-methyloxolan-2-imine
SMILESCC1CCO/C1=N\Cc1ccccc1
InChIInChI=1S/C12H15NO/c1-10-7-8-14-12(10)13-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3/b13-12-
InChIKeyUNISNZZEGAXGKN-SEYXRHQNSA-N
XLogP2.64
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzenemethanamine, N-(2-methylpropylidene)-
CID 3505229
(4R)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 10931742
(4S)-4-benzyl-2-ethyl-4,5-dihydro-1,3-oxazole
CID 12694682
methyl N-benzylmethanimidate
CID 14292074
N-benzyloxolan-2-imine
CID 14529224
(4S)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 15619834
N-(methoxy-2-propylidene)benzylamine
CID 71604915
(4S)-2-ethyl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 102475498
(4S)-4-(4-fluorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 135228222
4-(2-Fluorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 142401477
(4S)-4-(2-fluorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 142401550
4-(4-Fluorophenyl)-2-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 142401568

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyloxolan-2-imine?
The IUPAC name of N-benzyl-3-methyloxolan-2-imine (CID 11084634) is N-benzyl-3-methyloxolan-2-imine.
What is the SMILES notation for N-benzyl-3-methyloxolan-2-imine?
The canonical SMILES for N-benzyl-3-methyloxolan-2-imine is CC1CCO/C1=N\Cc1ccccc1.
What is the InChIKey of N-benzyl-3-methyloxolan-2-imine?
The InChIKey is UNISNZZEGAXGKN-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H15NO/c1-10-7-8-14-12(10)13-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3/b13-12-.
What are the key properties of N-benzyl-3-methyloxolan-2-imine?
N-benzyl-3-methyloxolan-2-imine has a molecular weight of 189.26 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyloxolan-2-imine is sourced from PubChem (CID 11084634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).