8-[hydroxy(oxolan-3-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one

C15H19NO3 — CID 104526261

IUPAC8-[hydroxy(oxolan-3-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
SMILESO=C1NCCCc2ccc(C(O)C3CCOC3)cc21
InChIInChI=1S/C15H19NO3/c17-14(12-5-7-19-9-12)11-4-3-10-2-1-6-16-15(18)13(10)8-11/h3-4,8,12,14,17H,1-2,5-7,9H2,(H,16,18)
InChIKeyIAMORWKRRBCXFK-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.43
Rot. Bonds2

About 8-[hydroxy(oxolan-3-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one

8-[hydroxy(oxolan-3-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one (PubChem CID 104526261) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 8-[hydroxy(oxolan-3-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one.

Molecular Properties

Compound Name8-[hydroxy(oxolan-3-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
PubChem CID104526261
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name8-[hydroxy(oxolan-3-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
SMILESO=C1NCCCc2ccc(C(O)C3CCOC3)cc21
InChIInChI=1S/C15H19NO3/c17-14(12-5-7-19-9-12)11-4-3-10-2-1-6-16-15(18)13(10)8-11/h3-4,8,12,14,17H,1-2,5-7,9H2,(H,16,18)
InChIKeyIAMORWKRRBCXFK-UHFFFAOYSA-N
XLogP1.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-[(1,1-dioxothiolan-3-yl)-hydroxymethyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104526222
8-[hydroxy-(3-methyloxolan-2-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104526200
8-[amino(oxan-2-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104525599
8-[chloro(cyclohexyl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104526446
8-[1,4-dioxan-2-yl(methylamino)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104525666
8-[amino(7-bicyclo[4.1.0]heptanyl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104525589
oxan-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 63015264
8-[cyclobutyl(methylamino)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104525702
7-[hydroxy-(2-methyloxolan-3-yl)methyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 79762447
8-(1-chloroethyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104526384
8-[hydroxy-(5-methylfuran-2-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104526188
8-[amino(2-bicyclo[2.2.1]heptanyl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104525554

Frequently Asked Questions

What is the IUPAC name of 8-[hydroxy(oxolan-3-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The IUPAC name of 8-[hydroxy(oxolan-3-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one (CID 104526261) is 8-[hydroxy(oxolan-3-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one.
What is the SMILES notation for 8-[hydroxy(oxolan-3-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The canonical SMILES for 8-[hydroxy(oxolan-3-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one is O=C1NCCCc2ccc(C(O)C3CCOC3)cc21.
What is the InChIKey of 8-[hydroxy(oxolan-3-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The InChIKey is IAMORWKRRBCXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-14(12-5-7-19-9-12)11-4-3-10-2-1-6-16-15(18)13(10)8-11/h3-4,8,12,14,17H,1-2,5-7,9H2,(H,16,18).
What are the key properties of 8-[hydroxy(oxolan-3-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one?
8-[hydroxy(oxolan-3-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one has a molecular weight of 261.32 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[hydroxy(oxolan-3-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one is sourced from PubChem (CID 104526261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).