(2S,4R)-2-(5-methylfuran-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol

C15H17NO2 — CID 118712889

IUPAC(2S,4R)-2-(5-methylfuran-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol
SMILESCc1ccc([C@@H]2C[C@H](O)Cc3ccccc3N2)o1
InChIInChI=1S/C15H17NO2/c1-10-6-7-15(18-10)14-9-12(17)8-11-4-2-3-5-13(11)16-14/h2-7,12,14,16-17H,8-9H2,1H3/t12-,14+/m1/s1
InChIKeyZDYOBDYRGGBVHQ-OCCSQVGLSA-N
MW243.31 g/mol
LogP3.05
Rot. Bonds1

About (2S,4R)-2-(5-methylfuran-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol

(2S,4R)-2-(5-methylfuran-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol (PubChem CID 118712889) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (2S,4R)-2-(5-methylfuran-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol.

Molecular Properties

Compound Name(2S,4R)-2-(5-methylfuran-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol
PubChem CID118712889
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(2S,4R)-2-(5-methylfuran-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol
SMILESCc1ccc([C@@H]2C[C@H](O)Cc3ccccc3N2)o1
InChIInChI=1S/C15H17NO2/c1-10-6-7-15(18-10)14-9-12(17)8-11-4-2-3-5-13(11)16-14/h2-7,12,14,16-17H,8-9H2,1H3/t12-,14+/m1/s1
InChIKeyZDYOBDYRGGBVHQ-OCCSQVGLSA-N
XLogP3.05
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-(5-methylfuran-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol?
The IUPAC name of (2S,4R)-2-(5-methylfuran-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol (CID 118712889) is (2S,4R)-2-(5-methylfuran-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol.
What is the SMILES notation for (2S,4R)-2-(5-methylfuran-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol?
The canonical SMILES for (2S,4R)-2-(5-methylfuran-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol is Cc1ccc([C@@H]2C[C@H](O)Cc3ccccc3N2)o1.
What is the InChIKey of (2S,4R)-2-(5-methylfuran-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol?
The InChIKey is ZDYOBDYRGGBVHQ-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H17NO2/c1-10-6-7-15(18-10)14-9-12(17)8-11-4-2-3-5-13(11)16-14/h2-7,12,14,16-17H,8-9H2,1H3/t12-,14+/m1/s1.
What are the key properties of (2S,4R)-2-(5-methylfuran-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol?
(2S,4R)-2-(5-methylfuran-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol has a molecular weight of 243.31 g/mol, XLogP of 3.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-(5-methylfuran-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol is sourced from PubChem (CID 118712889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).