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

C10H12ClNO — CID 56832777

IUPAC7-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol
SMILESOC1CCCNc2ccc(Cl)cc21
InChIInChI=1S/C10H12ClNO/c11-7-3-4-9-8(6-7)10(13)2-1-5-12-9/h3-4,6,10,12-13H,1-2,5H2
InChIKeyLRWLHLZOYPURQQ-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.58
Rot. Bonds

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

7-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol (PubChem CID 56832777) 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-1-benzazepin-5-ol.

Molecular Properties

Compound Name7-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol
PubChem CID56832777
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name7-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol
SMILESOC1CCCNc2ccc(Cl)cc21
InChIInChI=1S/C10H12ClNO/c11-7-3-4-9-8(6-7)10(13)2-1-5-12-9/h3-4,6,10,12-13H,1-2,5H2
InChIKeyLRWLHLZOYPURQQ-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
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-1-benzazepin-5-ol?
The IUPAC name of 7-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol (CID 56832777) is 7-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol.
What is the SMILES notation for 7-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol?
The canonical SMILES for 7-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol is OC1CCCNc2ccc(Cl)cc21.
What is the InChIKey of 7-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol?
The InChIKey is LRWLHLZOYPURQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c11-7-3-4-9-8(6-7)10(13)2-1-5-12-9/h3-4,6,10,12-13H,1-2,5H2.
What are the key properties of 7-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol?
7-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol has a molecular weight of 197.66 g/mol, XLogP of 2.58, 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-1-benzazepin-5-ol is sourced from PubChem (CID 56832777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).