5-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxolan-2-one

C15H19NO2 — CID 157011867

IUPAC5-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxolan-2-one
SMILESO=C1CCC(CN2CCc3ccccc3CC2)O1
InChIInChI=1S/C15H19NO2/c17-15-6-5-14(18-15)11-16-9-7-12-3-1-2-4-13(12)8-10-16/h1-4,14H,5-11H2
InChIKeyOUXFXNRKELUOQZ-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.79
Rot. Bonds2

About 5-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxolan-2-one

5-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxolan-2-one (PubChem CID 157011867) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 5-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxolan-2-one.

Molecular Properties

Compound Name5-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxolan-2-one
PubChem CID157011867
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name5-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxolan-2-one
SMILESO=C1CCC(CN2CCc3ccccc3CC2)O1
InChIInChI=1S/C15H19NO2/c17-15-6-5-14(18-15)11-16-9-7-12-3-1-2-4-13(12)8-10-16/h1-4,14H,5-11H2
InChIKeyOUXFXNRKELUOQZ-UHFFFAOYSA-N
XLogP1.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]oxolan-2-one
CID 131900207
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one
CID 55052644
(2R)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-ol
CID 10803828
2-[[(2S)-oxiran-2-yl]methyl]-3,4-dihydro-1H-isoquinoline;sulfane
CID 161167109
1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-amine
CID 22573243
5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]oxolan-2-one;formic acid
CID 154906821
3-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxan-4-one
CID 103058042
[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methanamine
CID 62423352
5-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-one
CID 154759623
[1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-yl]carbamic acid
CID 22573238
4-benzyl-1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidine
CID 11220953
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-3-one
CID 62233014

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxolan-2-one?
The IUPAC name of 5-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxolan-2-one (CID 157011867) is 5-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxolan-2-one.
What is the SMILES notation for 5-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxolan-2-one?
The canonical SMILES for 5-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxolan-2-one is O=C1CCC(CN2CCc3ccccc3CC2)O1.
What is the InChIKey of 5-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxolan-2-one?
The InChIKey is OUXFXNRKELUOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-15-6-5-14(18-15)11-16-9-7-12-3-1-2-4-13(12)8-10-16/h1-4,14H,5-11H2.
What are the key properties of 5-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxolan-2-one?
5-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxolan-2-one has a molecular weight of 245.32 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxolan-2-one is sourced from PubChem (CID 157011867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).