6-(3-hydroxyprop-2-enylidene)-11-methylbenzo[b][1]benzazepin-5-one

C18H15NO2 — CID 173468506

IUPAC6-(3-hydroxyprop-2-enylidene)-11-methylbenzo[b][1]benzazepin-5-one
SMILESCN1c2ccccc2C(=O)C(=CC=CO)c2ccccc21
InChIInChI=1S/C18H15NO2/c1-19-16-10-4-2-7-13(16)14(9-6-12-20)18(21)15-8-3-5-11-17(15)19/h2-12,20H,1H3
InChIKeyLKHAAMBCQGSGSY-UHFFFAOYSA-N
MW277.32 g/mol
LogP4.11
Rot. Bonds1

About 6-(3-hydroxyprop-2-enylidene)-11-methylbenzo[b][1]benzazepin-5-one

6-(3-hydroxyprop-2-enylidene)-11-methylbenzo[b][1]benzazepin-5-one (PubChem CID 173468506) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 6-(3-hydroxyprop-2-enylidene)-11-methylbenzo[b][1]benzazepin-5-one.

Molecular Properties

Compound Name6-(3-hydroxyprop-2-enylidene)-11-methylbenzo[b][1]benzazepin-5-one
PubChem CID173468506
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name6-(3-hydroxyprop-2-enylidene)-11-methylbenzo[b][1]benzazepin-5-one
SMILESCN1c2ccccc2C(=O)C(=CC=CO)c2ccccc21
InChIInChI=1S/C18H15NO2/c1-19-16-10-4-2-7-13(16)14(9-6-12-20)18(21)15-8-3-5-11-17(15)19/h2-12,20H,1H3
InChIKeyLKHAAMBCQGSGSY-UHFFFAOYSA-N
XLogP4.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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(3E)-1-methyl-3-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methylidene]quinoline-2,4-dione
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CID 139193133
10-methyl-9-[[5-[(10-methylacridin-9-ylidene)methyl]thiophen-2-yl]methylidene]acridine
CID 102043530
(3E)-1-methyl-3-propylideneindol-2-one
CID 58101344
methyl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate
CID 11367934
3-(4-fluoren-9-ylidene-5-oxopyrazolidin-3-ylidene)-1-methylquinoline-2,4-dione
CID 2754398
1-methyl-3-[(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)methylidene]quinoline-2,4-dione
CID 3599663
(3E)-1-methyl-3-[(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)methylidene]quinoline-2,4-dione
CID 18529555

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxyprop-2-enylidene)-11-methylbenzo[b][1]benzazepin-5-one?
The IUPAC name of 6-(3-hydroxyprop-2-enylidene)-11-methylbenzo[b][1]benzazepin-5-one (CID 173468506) is 6-(3-hydroxyprop-2-enylidene)-11-methylbenzo[b][1]benzazepin-5-one.
What is the SMILES notation for 6-(3-hydroxyprop-2-enylidene)-11-methylbenzo[b][1]benzazepin-5-one?
The canonical SMILES for 6-(3-hydroxyprop-2-enylidene)-11-methylbenzo[b][1]benzazepin-5-one is CN1c2ccccc2C(=O)C(=CC=CO)c2ccccc21.
What is the InChIKey of 6-(3-hydroxyprop-2-enylidene)-11-methylbenzo[b][1]benzazepin-5-one?
The InChIKey is LKHAAMBCQGSGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-19-16-10-4-2-7-13(16)14(9-6-12-20)18(21)15-8-3-5-11-17(15)19/h2-12,20H,1H3.
What are the key properties of 6-(3-hydroxyprop-2-enylidene)-11-methylbenzo[b][1]benzazepin-5-one?
6-(3-hydroxyprop-2-enylidene)-11-methylbenzo[b][1]benzazepin-5-one has a molecular weight of 277.32 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxyprop-2-enylidene)-11-methylbenzo[b][1]benzazepin-5-one is sourced from PubChem (CID 173468506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).