7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-5-ol

C10H12ClNO — CID 10058548

IUPAC7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-5-ol
SMILESOC1CNCCc2ccc(Cl)cc21
InChIInChI=1S/C10H12ClNO/c11-8-2-1-7-3-4-12-6-10(13)9(7)5-8/h1-2,5,10,12-13H,3-4,6H2
InChIKeyKVGYVFPNKGJTTP-UHFFFAOYSA-N
MW197.66 g/mol
LogP1.52
Rot. Bonds

About 7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-5-ol

7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-5-ol (PubChem CID 10058548) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-5-ol.

Molecular Properties

Compound Name7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-5-ol
PubChem CID10058548
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-5-ol
SMILESOC1CNCCc2ccc(Cl)cc21
InChIInChI=1S/C10H12ClNO/c11-8-2-1-7-3-4-12-6-10(13)9(7)5-8/h1-2,5,10,12-13H,3-4,6H2
InChIKeyKVGYVFPNKGJTTP-UHFFFAOYSA-N
XLogP1.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-5-ol?
The IUPAC name of 7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-5-ol (CID 10058548) is 7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-5-ol.
What is the SMILES notation for 7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-5-ol?
The canonical SMILES for 7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-5-ol is OC1CNCCc2ccc(Cl)cc21.
What is the InChIKey of 7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-5-ol?
The InChIKey is KVGYVFPNKGJTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c11-8-2-1-7-3-4-12-6-10(13)9(7)5-8/h1-2,5,10,12-13H,3-4,6H2.
What are the key properties of 7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-5-ol?
7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-5-ol has a molecular weight of 197.66 g/mol, XLogP of 1.52, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-5-ol is sourced from PubChem (CID 10058548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).