6-(3-methylphenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one

C19H15NO2 — CID 10565354

IUPAC6-(3-methylphenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one
SMILESCc1cccc(C2Oc3ccccc3-n3cccc3C2=O)c1
InChIInChI=1S/C19H15NO2/c1-13-6-4-7-14(12-13)19-18(21)16-9-5-11-20(16)15-8-2-3-10-17(15)22-19/h2-12,19H,1H3
InChIKeyCSIKNRXKWITEPT-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.10
Rot. Bonds1

About 6-(3-methylphenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one

6-(3-methylphenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one (PubChem CID 10565354) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 6-(3-methylphenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one.

Molecular Properties

Compound Name6-(3-methylphenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one
PubChem CID10565354
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name6-(3-methylphenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one
SMILESCc1cccc(C2Oc3ccccc3-n3cccc3C2=O)c1
InChIInChI=1S/C19H15NO2/c1-13-6-4-7-14(12-13)19-18(21)16-9-5-11-20(16)15-8-2-3-10-17(15)22-19/h2-12,19H,1H3
InChIKeyCSIKNRXKWITEPT-UHFFFAOYSA-N
XLogP4.10
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenyl)-4H-chromen-3-one
CID 70545875
2-(3-aminophenyl)-4-methyl-1,4-benzoxazin-3-one
CID 116990980
2-methyl-3-(3-methylphenyl)oxirane
CID 72951776
6-methylpyrrolo[1,2-a]indol-4-one
CID 19956225
1-(6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl)ethanone
CID 10733050
(9R)-9-(3-methoxyphenyl)-12,14-dimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione
CID 92500756
3-(3-methylphenyl)oxolane-2,5-dione
CID 71683747
5-(3-methylbut-2-enyl)-2-phenylchromene-3,4-dione
CID 66849906
(4R)-4-(3-methylphenyl)-N-propyl-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide
CID 92748537
(4S,5R)-3-tert-butyl-4-methyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one
CID 59135218
3-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837257
[6-(4-methylphenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-yl] N,N-diethylcarbamate
CID 10045805

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylphenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one?
The IUPAC name of 6-(3-methylphenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one (CID 10565354) is 6-(3-methylphenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one.
What is the SMILES notation for 6-(3-methylphenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one?
The canonical SMILES for 6-(3-methylphenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one is Cc1cccc(C2Oc3ccccc3-n3cccc3C2=O)c1.
What is the InChIKey of 6-(3-methylphenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one?
The InChIKey is CSIKNRXKWITEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2/c1-13-6-4-7-14(12-13)19-18(21)16-9-5-11-20(16)15-8-2-3-10-17(15)22-19/h2-12,19H,1H3.
What are the key properties of 6-(3-methylphenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one?
6-(3-methylphenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one has a molecular weight of 289.33 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylphenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one is sourced from PubChem (CID 10565354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).