4-methyl-4-phenyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine

C19H17NO — CID 14926383

IUPAC4-methyl-4-phenyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine
SMILESCC1(c2ccccc2)OCc2ccccc2-n2cccc21
InChIInChI=1S/C19H17NO/c1-19(16-9-3-2-4-10-16)18-12-7-13-20(18)17-11-6-5-8-15(17)14-21-19/h2-13H,14H2,1H3
InChIKeyNDYSKGYOFFEUGE-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.27
Rot. Bonds1

About 4-methyl-4-phenyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine

4-methyl-4-phenyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine (PubChem CID 14926383) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-methyl-4-phenyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine.

Molecular Properties

Compound Name4-methyl-4-phenyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine
PubChem CID14926383
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name4-methyl-4-phenyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine
SMILESCC1(c2ccccc2)OCc2ccccc2-n2cccc21
InChIInChI=1S/C19H17NO/c1-19(16-9-3-2-4-10-16)18-12-7-13-20(18)17-11-6-5-8-15(17)14-21-19/h2-13H,14H2,1H3
InChIKeyNDYSKGYOFFEUGE-UHFFFAOYSA-N
XLogP4.27
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-4-phenyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-phenyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine?
The IUPAC name of 4-methyl-4-phenyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine (CID 14926383) is 4-methyl-4-phenyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine.
What is the SMILES notation for 4-methyl-4-phenyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine?
The canonical SMILES for 4-methyl-4-phenyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine is CC1(c2ccccc2)OCc2ccccc2-n2cccc21.
What is the InChIKey of 4-methyl-4-phenyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine?
The InChIKey is NDYSKGYOFFEUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c1-19(16-9-3-2-4-10-16)18-12-7-13-20(18)17-11-6-5-8-15(17)14-21-19/h2-13H,14H2,1H3.
What are the key properties of 4-methyl-4-phenyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine?
4-methyl-4-phenyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine has a molecular weight of 275.35 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-phenyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine is sourced from PubChem (CID 14926383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).