(2E)-4-ethyl-2-(naphthalen-1-ylmethylidene)-3H-1,4-benzoxazine

C21H19NO — CID 134915580

IUPAC(2E)-4-ethyl-2-(naphthalen-1-ylmethylidene)-3H-1,4-benzoxazine
SMILESCCN1C/C(=C\c2cccc3ccccc23)Oc2ccccc21
InChIInChI=1S/C21H19NO/c1-2-22-15-18(23-21-13-6-5-12-20(21)22)14-17-10-7-9-16-8-3-4-11-19(16)17/h3-14H,2,15H2,1H3/b18-14+
InChIKeyZKWWIPVAFYHVGK-NBVRZTHBSA-N
MW301.39 g/mol
LogP5.10
Rot. Bonds2

About (2E)-4-ethyl-2-(naphthalen-1-ylmethylidene)-3H-1,4-benzoxazine

(2E)-4-ethyl-2-(naphthalen-1-ylmethylidene)-3H-1,4-benzoxazine (PubChem CID 134915580) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is (2E)-4-ethyl-2-(naphthalen-1-ylmethylidene)-3H-1,4-benzoxazine.

Molecular Properties

Compound Name(2E)-4-ethyl-2-(naphthalen-1-ylmethylidene)-3H-1,4-benzoxazine
PubChem CID134915580
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name(2E)-4-ethyl-2-(naphthalen-1-ylmethylidene)-3H-1,4-benzoxazine
SMILESCCN1C/C(=C\c2cccc3ccccc23)Oc2ccccc21
InChIInChI=1S/C21H19NO/c1-2-22-15-18(23-21-13-6-5-12-20(21)22)14-17-10-7-9-16-8-3-4-11-19(16)17/h3-14H,2,15H2,1H3/b18-14+
InChIKeyZKWWIPVAFYHVGK-NBVRZTHBSA-N
XLogP5.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.39
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2E)-2-[(4,6-dimethoxy-3-pyridinyl)methylidene]-4-ethyl-3H-1,4-benzoxazine
CID 134915989
(2Z)-4-benzyl-2-[(4-methylphenyl)methylidene]-3H-1,4-benzoxazine
CID 15488345
3-ethyl-2H-1,3-benzoxazole
CID 19969378
(Z)-N,N-dimethyl-2-naphthalen-1-ylethenamine
CID 163840781
N,N-dimethyl-2-naphthalen-1-ylethenamine
CID 139703260
(5Z)-3-ethyl-5-(naphthalen-1-ylmethylidene)imidazolidine-2,4-dione
CID 156556130
1-ethenylnaphthalene;propane
CID 90732485
1-(cyclohexylidenemethyl)naphthalene
CID 15459219
(2Z)-3-ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]-1,3-benzoxazole
CID 58276102
naphthalene-1-carbaldehyde;zinc
CID 88790891
naphthalene-1-carbaldehyde;hydroiodide
CID 172736279
2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine
CID 82112897

Frequently Asked Questions

What is the IUPAC name of (2E)-4-ethyl-2-(naphthalen-1-ylmethylidene)-3H-1,4-benzoxazine?
The IUPAC name of (2E)-4-ethyl-2-(naphthalen-1-ylmethylidene)-3H-1,4-benzoxazine (CID 134915580) is (2E)-4-ethyl-2-(naphthalen-1-ylmethylidene)-3H-1,4-benzoxazine.
What is the SMILES notation for (2E)-4-ethyl-2-(naphthalen-1-ylmethylidene)-3H-1,4-benzoxazine?
The canonical SMILES for (2E)-4-ethyl-2-(naphthalen-1-ylmethylidene)-3H-1,4-benzoxazine is CCN1C/C(=C\c2cccc3ccccc23)Oc2ccccc21.
What is the InChIKey of (2E)-4-ethyl-2-(naphthalen-1-ylmethylidene)-3H-1,4-benzoxazine?
The InChIKey is ZKWWIPVAFYHVGK-NBVRZTHBSA-N. The full InChI is InChI=1S/C21H19NO/c1-2-22-15-18(23-21-13-6-5-12-20(21)22)14-17-10-7-9-16-8-3-4-11-19(16)17/h3-14H,2,15H2,1H3/b18-14+.
What are the key properties of (2E)-4-ethyl-2-(naphthalen-1-ylmethylidene)-3H-1,4-benzoxazine?
(2E)-4-ethyl-2-(naphthalen-1-ylmethylidene)-3H-1,4-benzoxazine has a molecular weight of 301.39 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-ethyl-2-(naphthalen-1-ylmethylidene)-3H-1,4-benzoxazine is sourced from PubChem (CID 134915580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).