N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1-phenylmethanimine

C13H17NO3 — CID 173430633

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1-phenylmethanimine
SMILESCC1(C)OCC(CON=Cc2ccccc2)O1
InChIInChI=1S/C13H17NO3/c1-13(2)15-9-12(17-13)10-16-14-8-11-6-4-3-5-7-11/h3-8,12H,9-10H2,1-2H3
InChIKeyFHVIFLMFVLLMAK-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.19
Rot. Bonds4

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1-phenylmethanimine

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1-phenylmethanimine (PubChem CID 173430633) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1-phenylmethanimine
PubChem CID173430633
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1-phenylmethanimine
SMILESCC1(C)OCC(CON=Cc2ccccc2)O1
InChIInChI=1S/C13H17NO3/c1-13(2)15-9-12(17-13)10-16-14-8-11-6-4-3-5-7-11/h3-8,12H,9-10H2,1-2H3
InChIKeyFHVIFLMFVLLMAK-UHFFFAOYSA-N
XLogP2.19
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1-phenylmethanimine?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1-phenylmethanimine (CID 173430633) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1-phenylmethanimine.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1-phenylmethanimine?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1-phenylmethanimine is CC1(C)OCC(CON=Cc2ccccc2)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1-phenylmethanimine?
The InChIKey is FHVIFLMFVLLMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-13(2)15-9-12(17-13)10-16-14-8-11-6-4-3-5-7-11/h3-8,12H,9-10H2,1-2H3.
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1-phenylmethanimine?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1-phenylmethanimine has a molecular weight of 235.28 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1-phenylmethanimine is sourced from PubChem (CID 173430633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).