2-(2,6-dimethylpyran-4-ylidene)-N-phenylethanimine

C15H15NO — CID 140863991

IUPAC2-(2,6-dimethylpyran-4-ylidene)-N-phenylethanimine
SMILESCC1=CC(=C/C=N/c2ccccc2)C=C(C)O1
InChIInChI=1S/C15H15NO/c1-12-10-14(11-13(2)17-12)8-9-16-15-6-4-3-5-7-15/h3-11H,1-2H3/b16-9+
InChIKeyKIDUTHDMEOHQAD-CXUHLZMHSA-N
MW225.29 g/mol
LogP4.15
Rot. Bonds2

About 2-(2,6-dimethylpyran-4-ylidene)-N-phenylethanimine

2-(2,6-dimethylpyran-4-ylidene)-N-phenylethanimine (PubChem CID 140863991) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(2,6-dimethylpyran-4-ylidene)-N-phenylethanimine.

Molecular Properties

Compound Name2-(2,6-dimethylpyran-4-ylidene)-N-phenylethanimine
PubChem CID140863991
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name2-(2,6-dimethylpyran-4-ylidene)-N-phenylethanimine
SMILESCC1=CC(=C/C=N/c2ccccc2)C=C(C)O1
InChIInChI=1S/C15H15NO/c1-12-10-14(11-13(2)17-12)8-9-16-15-6-4-3-5-7-15/h3-11H,1-2H3/b16-9+
InChIKeyKIDUTHDMEOHQAD-CXUHLZMHSA-N
XLogP4.15
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 54.15
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

N-methyl-N'-phenylethane-1,2-diimine
CID 21014566
2-(3-methyl-1,3-benzoxazol-2-ylidene)-N-phenylethanimine;hydroiodide
CID 154735089
bromopalladium(1+);carbanide;N,N'-diphenylethane-1,2-diimine
CID 22968105
(2E)-2-(4,6-diphenylpyran-2-ylidene)-N-(4-methoxyphenyl)ethanimine
CID 6518633
(2Z)-N-(4-phenyldiazenylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 30223942
ethane;N-phenylethanimine
CID 91127812
(Z)-3-phenyliminoprop-1-en-1-amine
CID 118014655
(Z)-N,3-diphenylprop-2-en-1-imine
CID 40507555
3-phenyliminoprop-1-en-1-one
CID 135039976
N-phenylpenta-2,4-dien-1-imine
CID 123454989
tris(1-deuterio-N-phenylmethanimidic acid);propane
CID 160628250
(E)-3-(4-bromophenyl)-N-phenylprop-2-en-1-imine
CID 135076458

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylpyran-4-ylidene)-N-phenylethanimine?
The IUPAC name of 2-(2,6-dimethylpyran-4-ylidene)-N-phenylethanimine (CID 140863991) is 2-(2,6-dimethylpyran-4-ylidene)-N-phenylethanimine.
What is the SMILES notation for 2-(2,6-dimethylpyran-4-ylidene)-N-phenylethanimine?
The canonical SMILES for 2-(2,6-dimethylpyran-4-ylidene)-N-phenylethanimine is CC1=CC(=C/C=N/c2ccccc2)C=C(C)O1.
What is the InChIKey of 2-(2,6-dimethylpyran-4-ylidene)-N-phenylethanimine?
The InChIKey is KIDUTHDMEOHQAD-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H15NO/c1-12-10-14(11-13(2)17-12)8-9-16-15-6-4-3-5-7-15/h3-11H,1-2H3/b16-9+.
What are the key properties of 2-(2,6-dimethylpyran-4-ylidene)-N-phenylethanimine?
2-(2,6-dimethylpyran-4-ylidene)-N-phenylethanimine has a molecular weight of 225.29 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylpyran-4-ylidene)-N-phenylethanimine is sourced from PubChem (CID 140863991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).