(Z)-3-(4,5-dimethyl-3,6-dihydrooxazin-2-yl)-3-phenylprop-2-enenitrile

C15H16N2O — CID 10490231

IUPAC(Z)-3-(4,5-dimethyl-3,6-dihydrooxazin-2-yl)-3-phenylprop-2-enenitrile
SMILESCC1=C(C)CN(/C(=C\C#N)c2ccccc2)OC1
InChIInChI=1S/C15H16N2O/c1-12-10-17(18-11-13(12)2)15(8-9-16)14-6-4-3-5-7-14/h3-8H,10-11H2,1-2H3/b15-8-
InChIKeyGKAMNAXEAKNJIL-NVNXTCNLSA-N
MW240.31 g/mol
LogP3.13
Rot. Bonds2

About (Z)-3-(4,5-dimethyl-3,6-dihydrooxazin-2-yl)-3-phenylprop-2-enenitrile

(Z)-3-(4,5-dimethyl-3,6-dihydrooxazin-2-yl)-3-phenylprop-2-enenitrile (PubChem CID 10490231) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is (Z)-3-(4,5-dimethyl-3,6-dihydrooxazin-2-yl)-3-phenylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(4,5-dimethyl-3,6-dihydrooxazin-2-yl)-3-phenylprop-2-enenitrile
PubChem CID10490231
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name(Z)-3-(4,5-dimethyl-3,6-dihydrooxazin-2-yl)-3-phenylprop-2-enenitrile
SMILESCC1=C(C)CN(/C(=C\C#N)c2ccccc2)OC1
InChIInChI=1S/C15H16N2O/c1-12-10-17(18-11-13(12)2)15(8-9-16)14-6-4-3-5-7-14/h3-8H,10-11H2,1-2H3/b15-8-
InChIKeyGKAMNAXEAKNJIL-NVNXTCNLSA-N
XLogP3.13
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Methanimidic acid, N-[3-cyano-1,2,5,6-tetrahydro-1-(phenylmethyl)-4-pyridinyl]-
CID 318032
N-benzyl-1-phenyl-N-prop-2-enoxymethanamine
CID 19825260
N-benzyl 1,2-oxazine
CID 22999522
3-[4-(azidomethyl)phenyl]-2-ethyl-4-fluoro-5H-1,2-oxazole
CID 129079700
3-Fluoro-5-methyl-2-methylidene-6-phenyl-1-prop-2-enoxypyridine
CID 157160198
1-Ethoxy-3-fluoro-5-methyl-2-methylidene-6-phenylpyridine
CID 160079480
1-(Fluoromethoxy)-3,5-dimethyl-2-methylidene-6-phenylpyridine
CID 160251814
N-benzyl-N-[(2R)-but-3-en-2-yl]oxy-1-phenylmethanamine
CID 101780968
N-benzyl-methoxyisopropylamine
CID 129777665
2-[Methoxy(1-phenylethyl)amino]nonanenitrile
CID 134943871
N-benzyl-N-but-3-en-2-yloxy-1-phenylmethanamine
CID 135065487
2-(2-Methyl-6-phenyl-1-propyl-1,4-dihydropyridin-4-ylidene)propanedinitrile
CID 139080643

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4,5-dimethyl-3,6-dihydrooxazin-2-yl)-3-phenylprop-2-enenitrile?
The IUPAC name of (Z)-3-(4,5-dimethyl-3,6-dihydrooxazin-2-yl)-3-phenylprop-2-enenitrile (CID 10490231) is (Z)-3-(4,5-dimethyl-3,6-dihydrooxazin-2-yl)-3-phenylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-(4,5-dimethyl-3,6-dihydrooxazin-2-yl)-3-phenylprop-2-enenitrile?
The canonical SMILES for (Z)-3-(4,5-dimethyl-3,6-dihydrooxazin-2-yl)-3-phenylprop-2-enenitrile is CC1=C(C)CN(/C(=C\C#N)c2ccccc2)OC1.
What is the InChIKey of (Z)-3-(4,5-dimethyl-3,6-dihydrooxazin-2-yl)-3-phenylprop-2-enenitrile?
The InChIKey is GKAMNAXEAKNJIL-NVNXTCNLSA-N. The full InChI is InChI=1S/C15H16N2O/c1-12-10-17(18-11-13(12)2)15(8-9-16)14-6-4-3-5-7-14/h3-8H,10-11H2,1-2H3/b15-8-.
What are the key properties of (Z)-3-(4,5-dimethyl-3,6-dihydrooxazin-2-yl)-3-phenylprop-2-enenitrile?
(Z)-3-(4,5-dimethyl-3,6-dihydrooxazin-2-yl)-3-phenylprop-2-enenitrile has a molecular weight of 240.31 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4,5-dimethyl-3,6-dihydrooxazin-2-yl)-3-phenylprop-2-enenitrile is sourced from PubChem (CID 10490231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).