(1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-phenylmethanimidate

C13H16N2O — CID 20756942

IUPAC(1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-phenylmethanimidate
SMILESCN1CC=C(O/C=N/c2ccccc2)CC1
InChIInChI=1S/C13H16N2O/c1-15-9-7-13(8-10-15)16-11-14-12-5-3-2-4-6-12/h2-7,11H,8-10H2,1H3/b14-11+
InChIKeyRAXZLBZNMWHXBX-SDNWHVSQSA-N
MW216.28 g/mol
LogP2.58
Rot. Bonds3

About (1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-phenylmethanimidate

(1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-phenylmethanimidate (PubChem CID 20756942) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-phenylmethanimidate.

Molecular Properties

Compound Name(1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-phenylmethanimidate
PubChem CID20756942
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-phenylmethanimidate
SMILESCN1CC=C(O/C=N/c2ccccc2)CC1
InChIInChI=1S/C13H16N2O/c1-15-9-7-13(8-10-15)16-11-14-12-5-3-2-4-6-12/h2-7,11H,8-10H2,1H3/b14-11+
InChIKeyRAXZLBZNMWHXBX-SDNWHVSQSA-N
XLogP2.58
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-phenylmethanimidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-phenylmethanimidate?
The IUPAC name of (1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-phenylmethanimidate (CID 20756942) is (1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-phenylmethanimidate.
What is the SMILES notation for (1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-phenylmethanimidate?
The canonical SMILES for (1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-phenylmethanimidate is CN1CC=C(O/C=N/c2ccccc2)CC1.
What is the InChIKey of (1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-phenylmethanimidate?
The InChIKey is RAXZLBZNMWHXBX-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H16N2O/c1-15-9-7-13(8-10-15)16-11-14-12-5-3-2-4-6-12/h2-7,11H,8-10H2,1H3/b14-11+.
What are the key properties of (1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-phenylmethanimidate?
(1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-phenylmethanimidate has a molecular weight of 216.28 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-phenylmethanimidate is sourced from PubChem (CID 20756942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).