1-(1,3-benzodioxol-5-yl)-N-phenylmethoxymethanimine

C15H13NO3 — CID 57207956

IUPAC1-(1,3-benzodioxol-5-yl)-N-phenylmethoxymethanimine
SMILESC(=NOCc1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H13NO3/c1-2-4-12(5-3-1)10-19-16-9-13-6-7-14-15(8-13)18-11-17-14/h1-9H,10-11H2
InChIKeyNZJUACCVQMTLAR-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.97
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-N-phenylmethoxymethanimine

1-(1,3-benzodioxol-5-yl)-N-phenylmethoxymethanimine (PubChem CID 57207956) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-phenylmethoxymethanimine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-phenylmethoxymethanimine
PubChem CID57207956
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-phenylmethoxymethanimine
SMILESC(=NOCc1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H13NO3/c1-2-4-12(5-3-1)10-19-16-9-13-6-7-14-15(8-13)18-11-17-14/h1-9H,10-11H2
InChIKeyNZJUACCVQMTLAR-UHFFFAOYSA-N
XLogP2.97
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.97
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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Related Compounds

(E)-1-(6-bromo-1,3-benzodioxol-5-yl)-N-phenylmethoxymethanimine
CID 88567097
2-(1,3-benzodioxol-5-ylmethylideneamino)oxy-N-(4-phenylbutan-2-yl)acetamide
CID 4858541
ethane;N-methyl-6-[(E)-phenylmethoxyiminomethyl]-1,3-benzodioxol-5-amine
CID 145492731
benzyl 3-(1,3-benzodioxol-5-yl)prop-2-enoate
CID 5136102
(E)-N-(1,3-benzodioxol-5-ylmethoxy)-1-(3-nitrophenyl)methanimine
CID 16545564
(1,3-benzodioxol-5-ylmethylideneamino) benzoate
CID 2818079
5-(3-phenylprop-1-enyl)-1,3-benzodioxole
CID 154074400
N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine
CID 2457580
(E)-1-(4-methoxyphenyl)-N-phenylmethoxymethanimine
CID 11499688
2-methoxy-4-[(E)-phenylmethoxyiminomethyl]phenol
CID 136913659
(E)-3-(1,3-benzodioxol-5-yl)-N-(2-phenylmethoxyethyl)prop-2-enamide
CID 99818521
(E)-1-(1,3-benzodioxol-5-yl)-N-diphenylphosphorylmethanimine
CID 10915051

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-phenylmethoxymethanimine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-phenylmethoxymethanimine (CID 57207956) is 1-(1,3-benzodioxol-5-yl)-N-phenylmethoxymethanimine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-phenylmethoxymethanimine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-phenylmethoxymethanimine is C(=NOCc1ccccc1)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-phenylmethoxymethanimine?
The InChIKey is NZJUACCVQMTLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-2-4-12(5-3-1)10-19-16-9-13-6-7-14-15(8-13)18-11-17-14/h1-9H,10-11H2.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-phenylmethoxymethanimine?
1-(1,3-benzodioxol-5-yl)-N-phenylmethoxymethanimine has a molecular weight of 255.27 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-phenylmethoxymethanimine is sourced from PubChem (CID 57207956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).