4-methyl-4,6-dihydropyrrolo[1,2-a][1]benzazepin-5-one

C14H13NO — CID 59032754

IUPAC4-methyl-4,6-dihydropyrrolo[1,2-a][1]benzazepin-5-one
SMILESCC1C(=O)Cc2ccccc2-n2cccc21
InChIInChI=1S/C14H13NO/c1-10-12-7-4-8-15(12)13-6-3-2-5-11(13)9-14(10)16/h2-8,10H,9H2,1H3
InChIKeyZKQMCZPWGVFTPF-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.71
Rot. Bonds

About 4-methyl-4,6-dihydropyrrolo[1,2-a][1]benzazepin-5-one

4-methyl-4,6-dihydropyrrolo[1,2-a][1]benzazepin-5-one (PubChem CID 59032754) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-methyl-4,6-dihydropyrrolo[1,2-a][1]benzazepin-5-one.

Molecular Properties

Compound Name4-methyl-4,6-dihydropyrrolo[1,2-a][1]benzazepin-5-one
PubChem CID59032754
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name4-methyl-4,6-dihydropyrrolo[1,2-a][1]benzazepin-5-one
SMILESCC1C(=O)Cc2ccccc2-n2cccc21
InChIInChI=1S/C14H13NO/c1-10-12-7-4-8-15(12)13-6-3-2-5-11(13)9-14(10)16/h2-8,10H,9H2,1H3
InChIKeyZKQMCZPWGVFTPF-UHFFFAOYSA-N
XLogP2.71
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4,6-dihydropyrrolo[1,2-a][1]benzazepin-5-one?
The IUPAC name of 4-methyl-4,6-dihydropyrrolo[1,2-a][1]benzazepin-5-one (CID 59032754) is 4-methyl-4,6-dihydropyrrolo[1,2-a][1]benzazepin-5-one.
What is the SMILES notation for 4-methyl-4,6-dihydropyrrolo[1,2-a][1]benzazepin-5-one?
The canonical SMILES for 4-methyl-4,6-dihydropyrrolo[1,2-a][1]benzazepin-5-one is CC1C(=O)Cc2ccccc2-n2cccc21.
What is the InChIKey of 4-methyl-4,6-dihydropyrrolo[1,2-a][1]benzazepin-5-one?
The InChIKey is ZKQMCZPWGVFTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-10-12-7-4-8-15(12)13-6-3-2-5-11(13)9-14(10)16/h2-8,10H,9H2,1H3.
What are the key properties of 4-methyl-4,6-dihydropyrrolo[1,2-a][1]benzazepin-5-one?
4-methyl-4,6-dihydropyrrolo[1,2-a][1]benzazepin-5-one has a molecular weight of 211.26 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4,6-dihydropyrrolo[1,2-a][1]benzazepin-5-one is sourced from PubChem (CID 59032754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).