4-[(E)-2-(10,10-dimethyl-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10a-yl)ethenyl]-N,N-dimethylaniline

C23H28N2O — CID 14245910

IUPAC4-[(E)-2-(10,10-dimethyl-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10a-yl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/C23OCCCN2c2ccccc2C3(C)C)cc1
InChIInChI=1S/C23H28N2O/c1-22(2)20-8-5-6-9-21(20)25-16-7-17-26-23(22,25)15-14-18-10-12-19(13-11-18)24(3)4/h5-6,8-15H,7,16-17H2,1-4H3/b15-14+
InChIKeyGLUKYHVLZVCFRW-CCEZHUSRSA-N
MW348.49 g/mol
LogP4.68
Rot. Bonds3

About 4-[(E)-2-(10,10-dimethyl-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10a-yl)ethenyl]-N,N-dimethylaniline

4-[(E)-2-(10,10-dimethyl-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10a-yl)ethenyl]-N,N-dimethylaniline (PubChem CID 14245910) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-[(E)-2-(10,10-dimethyl-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10a-yl)ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-2-(10,10-dimethyl-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10a-yl)ethenyl]-N,N-dimethylaniline
PubChem CID14245910
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name4-[(E)-2-(10,10-dimethyl-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10a-yl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/C23OCCCN2c2ccccc2C3(C)C)cc1
InChIInChI=1S/C23H28N2O/c1-22(2)20-8-5-6-9-21(20)25-16-7-17-26-23(22,25)15-14-18-10-12-19(13-11-18)24(3)4/h5-6,8-15H,7,16-17H2,1-4H3/b15-14+
InChIKeyGLUKYHVLZVCFRW-CCEZHUSRSA-N
XLogP4.68
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(10,10-dimethyl-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10a-yl)ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-2-(10,10-dimethyl-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10a-yl)ethenyl]-N,N-dimethylaniline (CID 14245910) is 4-[(E)-2-(10,10-dimethyl-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10a-yl)ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-2-(10,10-dimethyl-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10a-yl)ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-2-(10,10-dimethyl-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10a-yl)ethenyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=C/C23OCCCN2c2ccccc2C3(C)C)cc1.
What is the InChIKey of 4-[(E)-2-(10,10-dimethyl-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10a-yl)ethenyl]-N,N-dimethylaniline?
The InChIKey is GLUKYHVLZVCFRW-CCEZHUSRSA-N. The full InChI is InChI=1S/C23H28N2O/c1-22(2)20-8-5-6-9-21(20)25-16-7-17-26-23(22,25)15-14-18-10-12-19(13-11-18)24(3)4/h5-6,8-15H,7,16-17H2,1-4H3/b15-14+.
What are the key properties of 4-[(E)-2-(10,10-dimethyl-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10a-yl)ethenyl]-N,N-dimethylaniline?
4-[(E)-2-(10,10-dimethyl-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10a-yl)ethenyl]-N,N-dimethylaniline has a molecular weight of 348.49 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(10,10-dimethyl-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10a-yl)ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 14245910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).