2-(2-hydroxyethyl)-8-propyl-4,5-dihydro-3H-2-benzazepin-1-one

C15H21NO2 — CID 171523154

IUPAC2-(2-hydroxyethyl)-8-propyl-4,5-dihydro-3H-2-benzazepin-1-one
SMILESCCCc1ccc2c(c1)C(=O)N(CCO)CCC2
InChIInChI=1S/C15H21NO2/c1-2-4-12-6-7-13-5-3-8-16(9-10-17)15(18)14(13)11-12/h6-7,11,17H,2-5,8-10H2,1H3
InChIKeyRFZQWAYSOTZIMQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.02
Rot. Bonds4

About 2-(2-hydroxyethyl)-8-propyl-4,5-dihydro-3H-2-benzazepin-1-one

2-(2-hydroxyethyl)-8-propyl-4,5-dihydro-3H-2-benzazepin-1-one (PubChem CID 171523154) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-8-propyl-4,5-dihydro-3H-2-benzazepin-1-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-8-propyl-4,5-dihydro-3H-2-benzazepin-1-one
PubChem CID171523154
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(2-hydroxyethyl)-8-propyl-4,5-dihydro-3H-2-benzazepin-1-one
SMILESCCCc1ccc2c(c1)C(=O)N(CCO)CCC2
InChIInChI=1S/C15H21NO2/c1-2-4-12-6-7-13-5-3-8-16(9-10-17)15(18)14(13)11-12/h6-7,11,17H,2-5,8-10H2,1H3
InChIKeyRFZQWAYSOTZIMQ-UHFFFAOYSA-N
XLogP2.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-iodo-2-propyl-3,4-dihydroisoquinolin-1-one
CID 79787698
2-(7-ethyl-1-oxo-3,4-dihydroisoquinolin-2-yl)acetic acid
CID 82055331
3-propylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 59134563
6-hydroxy-2-(2-hydroxyethyl)-3,4-dihydroisoquinolin-1-one
CID 115025100
3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)propan-1-ol
CID 105474725
2-[7-(hydroxymethyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]acetaldehyde
CID 129306058
2,7-dipropyl-9,10-dihydrophenanthrene
CID 159085021
7-(hydroxymethyl)-2-prop-2-enyl-3,4-dihydroisoquinolin-1-one
CID 129283520
7-propyl-1,2-dihydro-3-benzoxepin-5-one
CID 62731889
2-[2-(2-methylpyrazol-3-yl)ethyl]-4,5-dihydro-3H-2-benzazepin-1-one
CID 103015506
1-methyl-5-propyl-2,3-dihydroindole
CID 89046240
3-(1-butyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine
CID 170867536

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-8-propyl-4,5-dihydro-3H-2-benzazepin-1-one?
The IUPAC name of 2-(2-hydroxyethyl)-8-propyl-4,5-dihydro-3H-2-benzazepin-1-one (CID 171523154) is 2-(2-hydroxyethyl)-8-propyl-4,5-dihydro-3H-2-benzazepin-1-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-8-propyl-4,5-dihydro-3H-2-benzazepin-1-one?
The canonical SMILES for 2-(2-hydroxyethyl)-8-propyl-4,5-dihydro-3H-2-benzazepin-1-one is CCCc1ccc2c(c1)C(=O)N(CCO)CCC2.
What is the InChIKey of 2-(2-hydroxyethyl)-8-propyl-4,5-dihydro-3H-2-benzazepin-1-one?
The InChIKey is RFZQWAYSOTZIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-4-12-6-7-13-5-3-8-16(9-10-17)15(18)14(13)11-12/h6-7,11,17H,2-5,8-10H2,1H3.
What are the key properties of 2-(2-hydroxyethyl)-8-propyl-4,5-dihydro-3H-2-benzazepin-1-one?
2-(2-hydroxyethyl)-8-propyl-4,5-dihydro-3H-2-benzazepin-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-8-propyl-4,5-dihydro-3H-2-benzazepin-1-one is sourced from PubChem (CID 171523154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).