(5S)-5-(4-hydroxyphenyl)-6-methyl-3,5-dihydropyrrolo[2,3-d][1]benzazepin-4-one

C19H16N2O2 — CID 162941991

IUPAC(5S)-5-(4-hydroxyphenyl)-6-methyl-3,5-dihydropyrrolo[2,3-d][1]benzazepin-4-one
SMILESCN1c2ccccc2-c2cc[nH]c2C(=O)[C@@H]1c1ccc(O)cc1
InChIInChI=1S/C19H16N2O2/c1-21-16-5-3-2-4-14(16)15-10-11-20-17(15)19(23)18(21)12-6-8-13(22)9-7-12/h2-11,18,20,22H,1H3/t18-/m0/s1
InChIKeyAVGNIFTUBAVXTR-SFHVURJKSA-N
MW304.35 g/mol
LogP3.76
Rot. Bonds1

About (5S)-5-(4-hydroxyphenyl)-6-methyl-3,5-dihydropyrrolo[2,3-d][1]benzazepin-4-one

(5S)-5-(4-hydroxyphenyl)-6-methyl-3,5-dihydropyrrolo[2,3-d][1]benzazepin-4-one (PubChem CID 162941991) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is (5S)-5-(4-hydroxyphenyl)-6-methyl-3,5-dihydropyrrolo[2,3-d][1]benzazepin-4-one.

Molecular Properties

Compound Name(5S)-5-(4-hydroxyphenyl)-6-methyl-3,5-dihydropyrrolo[2,3-d][1]benzazepin-4-one
PubChem CID162941991
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name(5S)-5-(4-hydroxyphenyl)-6-methyl-3,5-dihydropyrrolo[2,3-d][1]benzazepin-4-one
SMILESCN1c2ccccc2-c2cc[nH]c2C(=O)[C@@H]1c1ccc(O)cc1
InChIInChI=1S/C19H16N2O2/c1-21-16-5-3-2-4-14(16)15-10-11-20-17(15)19(23)18(21)12-6-8-13(22)9-7-12/h2-11,18,20,22H,1H3/t18-/m0/s1
InChIKeyAVGNIFTUBAVXTR-SFHVURJKSA-N
XLogP3.76
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-hydroxyphenyl)-6-methyl-3,5-dihydropyrrolo[2,3-d][1]benzazepin-4-one?
The IUPAC name of (5S)-5-(4-hydroxyphenyl)-6-methyl-3,5-dihydropyrrolo[2,3-d][1]benzazepin-4-one (CID 162941991) is (5S)-5-(4-hydroxyphenyl)-6-methyl-3,5-dihydropyrrolo[2,3-d][1]benzazepin-4-one.
What is the SMILES notation for (5S)-5-(4-hydroxyphenyl)-6-methyl-3,5-dihydropyrrolo[2,3-d][1]benzazepin-4-one?
The canonical SMILES for (5S)-5-(4-hydroxyphenyl)-6-methyl-3,5-dihydropyrrolo[2,3-d][1]benzazepin-4-one is CN1c2ccccc2-c2cc[nH]c2C(=O)[C@@H]1c1ccc(O)cc1.
What is the InChIKey of (5S)-5-(4-hydroxyphenyl)-6-methyl-3,5-dihydropyrrolo[2,3-d][1]benzazepin-4-one?
The InChIKey is AVGNIFTUBAVXTR-SFHVURJKSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-21-16-5-3-2-4-14(16)15-10-11-20-17(15)19(23)18(21)12-6-8-13(22)9-7-12/h2-11,18,20,22H,1H3/t18-/m0/s1.
What are the key properties of (5S)-5-(4-hydroxyphenyl)-6-methyl-3,5-dihydropyrrolo[2,3-d][1]benzazepin-4-one?
(5S)-5-(4-hydroxyphenyl)-6-methyl-3,5-dihydropyrrolo[2,3-d][1]benzazepin-4-one has a molecular weight of 304.35 g/mol, XLogP of 3.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-hydroxyphenyl)-6-methyl-3,5-dihydropyrrolo[2,3-d][1]benzazepin-4-one is sourced from PubChem (CID 162941991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).