1,8-dimethyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole

C19H19NO — CID 139261392

IUPAC1,8-dimethyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole
SMILESCc1ccc2c(c1)cc1n2CCOC1(C)c1ccccc1
InChIInChI=1S/C19H19NO/c1-14-8-9-17-15(12-14)13-18-19(2,21-11-10-20(17)18)16-6-4-3-5-7-16/h3-9,12-13H,10-11H2,1-2H3
InChIKeyLUVUWZOTSSKGDV-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.24
Rot. Bonds1

About 1,8-dimethyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole

1,8-dimethyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole (PubChem CID 139261392) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 1,8-dimethyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole.

Molecular Properties

Compound Name1,8-dimethyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole
PubChem CID139261392
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name1,8-dimethyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole
SMILESCc1ccc2c(c1)cc1n2CCOC1(C)c1ccccc1
InChIInChI=1S/C19H19NO/c1-14-8-9-17-15(12-14)13-18-19(2,21-11-10-20(17)18)16-6-4-3-5-7-16/h3-9,12-13H,10-11H2,1-2H3
InChIKeyLUVUWZOTSSKGDV-UHFFFAOYSA-N
XLogP4.24
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole?
The IUPAC name of 1,8-dimethyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole (CID 139261392) is 1,8-dimethyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole.
What is the SMILES notation for 1,8-dimethyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole?
The canonical SMILES for 1,8-dimethyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole is Cc1ccc2c(c1)cc1n2CCOC1(C)c1ccccc1.
What is the InChIKey of 1,8-dimethyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole?
The InChIKey is LUVUWZOTSSKGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-14-8-9-17-15(12-14)13-18-19(2,21-11-10-20(17)18)16-6-4-3-5-7-16/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of 1,8-dimethyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole?
1,8-dimethyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole has a molecular weight of 277.37 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole is sourced from PubChem (CID 139261392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).