1'-methyl-2-(4-methylphenyl)spiro[4,6-dihydro-1,3-oxazine-5,3'-indole]-2'-one

C19H18N2O2 — CID 135027334

IUPAC1'-methyl-2-(4-methylphenyl)spiro[4,6-dihydro-1,3-oxazine-5,3'-indole]-2'-one
SMILESCc1ccc(C2=NCC3(CO2)C(=O)N(C)c2ccccc23)cc1
InChIInChI=1S/C19H18N2O2/c1-13-7-9-14(10-8-13)17-20-11-19(12-23-17)15-5-3-4-6-16(15)21(2)18(19)22/h3-10H,11-12H2,1-2H3
InChIKeyVNUPYNQVCNDDNB-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.69
Rot. Bonds1

About 1'-methyl-2-(4-methylphenyl)spiro[4,6-dihydro-1,3-oxazine-5,3'-indole]-2'-one

1'-methyl-2-(4-methylphenyl)spiro[4,6-dihydro-1,3-oxazine-5,3'-indole]-2'-one (PubChem CID 135027334) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1'-methyl-2-(4-methylphenyl)spiro[4,6-dihydro-1,3-oxazine-5,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-methyl-2-(4-methylphenyl)spiro[4,6-dihydro-1,3-oxazine-5,3'-indole]-2'-one
PubChem CID135027334
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1'-methyl-2-(4-methylphenyl)spiro[4,6-dihydro-1,3-oxazine-5,3'-indole]-2'-one
SMILESCc1ccc(C2=NCC3(CO2)C(=O)N(C)c2ccccc23)cc1
InChIInChI=1S/C19H18N2O2/c1-13-7-9-14(10-8-13)17-20-11-19(12-23-17)15-5-3-4-6-16(15)21(2)18(19)22/h3-10H,11-12H2,1-2H3
InChIKeyVNUPYNQVCNDDNB-UHFFFAOYSA-N
XLogP2.69
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-methyl-2-(4-methylphenyl)spiro[4,6-dihydro-1,3-oxazine-5,3'-indole]-2'-one?
The IUPAC name of 1'-methyl-2-(4-methylphenyl)spiro[4,6-dihydro-1,3-oxazine-5,3'-indole]-2'-one (CID 135027334) is 1'-methyl-2-(4-methylphenyl)spiro[4,6-dihydro-1,3-oxazine-5,3'-indole]-2'-one.
What is the SMILES notation for 1'-methyl-2-(4-methylphenyl)spiro[4,6-dihydro-1,3-oxazine-5,3'-indole]-2'-one?
The canonical SMILES for 1'-methyl-2-(4-methylphenyl)spiro[4,6-dihydro-1,3-oxazine-5,3'-indole]-2'-one is Cc1ccc(C2=NCC3(CO2)C(=O)N(C)c2ccccc23)cc1.
What is the InChIKey of 1'-methyl-2-(4-methylphenyl)spiro[4,6-dihydro-1,3-oxazine-5,3'-indole]-2'-one?
The InChIKey is VNUPYNQVCNDDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13-7-9-14(10-8-13)17-20-11-19(12-23-17)15-5-3-4-6-16(15)21(2)18(19)22/h3-10H,11-12H2,1-2H3.
What are the key properties of 1'-methyl-2-(4-methylphenyl)spiro[4,6-dihydro-1,3-oxazine-5,3'-indole]-2'-one?
1'-methyl-2-(4-methylphenyl)spiro[4,6-dihydro-1,3-oxazine-5,3'-indole]-2'-one has a molecular weight of 306.37 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-2-(4-methylphenyl)spiro[4,6-dihydro-1,3-oxazine-5,3'-indole]-2'-one is sourced from PubChem (CID 135027334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).