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

C14H15NO2 — CID 118712888

IUPAC(2S,4R)-2-(furan-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol
SMILESO[C@@H]1Cc2ccccc2N[C@H](c2ccco2)C1
InChIInChI=1S/C14H15NO2/c16-11-8-10-4-1-2-5-12(10)15-13(9-11)14-6-3-7-17-14/h1-7,11,13,15-16H,8-9H2/t11-,13+/m1/s1
InChIKeyJHQNWCDXPYPILJ-YPMHNXCESA-N
MW229.28 g/mol
LogP2.74
Rot. Bonds1

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

(2S,4R)-2-(furan-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol (PubChem CID 118712888) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is (2S,4R)-2-(furan-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol.

Molecular Properties

Compound Name(2S,4R)-2-(furan-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol
PubChem CID118712888
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name(2S,4R)-2-(furan-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol
SMILESO[C@@H]1Cc2ccccc2N[C@H](c2ccco2)C1
InChIInChI=1S/C14H15NO2/c16-11-8-10-4-1-2-5-12(10)15-13(9-11)14-6-3-7-17-14/h1-7,11,13,15-16H,8-9H2/t11-,13+/m1/s1
InChIKeyJHQNWCDXPYPILJ-YPMHNXCESA-N
XLogP2.74
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,4R)-2-(furan-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol with MolForge

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Launch Full Analysis

Related Compounds

Mls000758512
CID 332769
N-[1-(furan-2-yl)-3-methylbut-3-en-1-yl]-4-methoxyaniline
CID 2772051
4-Furan-2-yl-2,3,3a,4,5,9b-hexahydro-furo[3,2-c]quinoline
CID 3154540
8-Fluoro-4-(2-furyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 664607
2-fluoro-N-[1-(2-furyl)-3-methyl-3-butenyl]aniline
CID 2941224
(2S,4R)-2-(5-methylfuran-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol
CID 118712889
(2S,4R)-7-chloro-2-(5-methylfuran-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol
CID 118712890
(2S,4R)-7-fluoro-2-(5-methylfuran-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol
CID 118712891
(2S,4R)-2-(furan-2-yl)-7-(trifluoromethoxy)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol
CID 118712892
(2S,4R)-2-(5-methylfuran-2-yl)-7-(trifluoromethoxy)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol
CID 118712893
(2S,4R)-7-fluoro-2-(furan-3-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol
CID 118712894
2-(Furan-2-yl)-2,3-dihydroquinolin-4(1h)-one
CID 10867616

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-(furan-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol?
The IUPAC name of (2S,4R)-2-(furan-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol (CID 118712888) is (2S,4R)-2-(furan-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol.
What is the SMILES notation for (2S,4R)-2-(furan-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol?
The canonical SMILES for (2S,4R)-2-(furan-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol is O[C@@H]1Cc2ccccc2N[C@H](c2ccco2)C1.
What is the InChIKey of (2S,4R)-2-(furan-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol?
The InChIKey is JHQNWCDXPYPILJ-YPMHNXCESA-N. The full InChI is InChI=1S/C14H15NO2/c16-11-8-10-4-1-2-5-12(10)15-13(9-11)14-6-3-7-17-14/h1-7,11,13,15-16H,8-9H2/t11-,13+/m1/s1.
What are the key properties of (2S,4R)-2-(furan-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol?
(2S,4R)-2-(furan-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol has a molecular weight of 229.28 g/mol, XLogP of 2.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-(furan-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol is sourced from PubChem (CID 118712888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).