5-hydroxy-7,8-dipropyl-1H-1-benzazepine-2,3-dione

C16H19NO3 — CID 57272632

IUPAC5-hydroxy-7,8-dipropyl-1H-1-benzazepine-2,3-dione
SMILESCCCc1cc2[nH]c(=O)c(=O)cc(O)c2cc1CCC
InChIInChI=1S/C16H19NO3/c1-3-5-10-7-12-13(8-11(10)6-4-2)17-16(20)15(19)9-14(12)18/h7-9,18H,3-6H2,1-2H3,(H,17,19,20)
InChIKeyOUAIVIDIHFMMFJ-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.50
Rot. Bonds4

About 5-hydroxy-7,8-dipropyl-1H-1-benzazepine-2,3-dione

5-hydroxy-7,8-dipropyl-1H-1-benzazepine-2,3-dione (PubChem CID 57272632) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 5-hydroxy-7,8-dipropyl-1H-1-benzazepine-2,3-dione.

Molecular Properties

Compound Name5-hydroxy-7,8-dipropyl-1H-1-benzazepine-2,3-dione
PubChem CID57272632
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name5-hydroxy-7,8-dipropyl-1H-1-benzazepine-2,3-dione
SMILESCCCc1cc2[nH]c(=O)c(=O)cc(O)c2cc1CCC
InChIInChI=1S/C16H19NO3/c1-3-5-10-7-12-13(8-11(10)6-4-2)17-16(20)15(19)9-14(12)18/h7-9,18H,3-6H2,1-2H3,(H,17,19,20)
InChIKeyOUAIVIDIHFMMFJ-UHFFFAOYSA-N
XLogP2.50
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-3-propyl-1H-quinolin-2-one
CID 101272468
5-hydroxy-9-propyl-1H-1-benzazepine-2,3-dione
CID 57128434
5-hydroxy-7,8-diiodo-1H-1-benzazepine-2,3-dione
CID 67840682
4,6-dipropylbenzene-1,3-diol
CID 70496109
3-(bromomethyl)-7-ethyl-1,5-dihydro-1,5-naphthyridine-2,6-dione
CID 166082549
7-(dimethylamino)-4-propyl-1H-quinolin-2-one
CID 143071028
6-methyl-2-oxo-4-propyl-1H-pyridine-3-carboxylic acid
CID 15641804
7,8-dihydroxy-3-propylchromen-4-one
CID 139225677
2,4-bis(hydroxymethyl)-5-propylphenol
CID 20528682
2-hydroxy-5-propylcyclohepta-2,4,6-trien-1-one
CID 130028653
3-butoxy-4-hexoxy-7-hydroxy-1H-quinolin-2-one
CID 139716948
4-butoxy-7-hydroxy-3-octoxy-1H-quinolin-2-one
CID 139718292

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7,8-dipropyl-1H-1-benzazepine-2,3-dione?
The IUPAC name of 5-hydroxy-7,8-dipropyl-1H-1-benzazepine-2,3-dione (CID 57272632) is 5-hydroxy-7,8-dipropyl-1H-1-benzazepine-2,3-dione.
What is the SMILES notation for 5-hydroxy-7,8-dipropyl-1H-1-benzazepine-2,3-dione?
The canonical SMILES for 5-hydroxy-7,8-dipropyl-1H-1-benzazepine-2,3-dione is CCCc1cc2[nH]c(=O)c(=O)cc(O)c2cc1CCC.
What is the InChIKey of 5-hydroxy-7,8-dipropyl-1H-1-benzazepine-2,3-dione?
The InChIKey is OUAIVIDIHFMMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-3-5-10-7-12-13(8-11(10)6-4-2)17-16(20)15(19)9-14(12)18/h7-9,18H,3-6H2,1-2H3,(H,17,19,20).
What are the key properties of 5-hydroxy-7,8-dipropyl-1H-1-benzazepine-2,3-dione?
5-hydroxy-7,8-dipropyl-1H-1-benzazepine-2,3-dione has a molecular weight of 273.33 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7,8-dipropyl-1H-1-benzazepine-2,3-dione is sourced from PubChem (CID 57272632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).