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

C10H13NO — CID 18378645

IUPAC2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol
SMILESOC1CCCNc2ccccc21
InChIInChI=1S/C10H13NO/c12-10-6-3-7-11-9-5-2-1-4-8(9)10/h1-2,4-5,10-12H,3,6-7H2
InChIKeyDNCKQRQKWJCPMQ-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.93
Rot. Bonds

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

2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol (PubChem CID 18378645) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol.

Molecular Properties

Compound Name2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol
PubChem CID18378645
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol
SMILESOC1CCCNc2ccccc21
InChIInChI=1S/C10H13NO/c12-10-6-3-7-11-9-5-2-1-4-8(9)10/h1-2,4-5,10-12H,3,6-7H2
InChIKeyDNCKQRQKWJCPMQ-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol?
The IUPAC name of 2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol (CID 18378645) is 2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol.
What is the SMILES notation for 2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol?
The canonical SMILES for 2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol is OC1CCCNc2ccccc21.
What is the InChIKey of 2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol?
The InChIKey is DNCKQRQKWJCPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c12-10-6-3-7-11-9-5-2-1-4-8(9)10/h1-2,4-5,10-12H,3,6-7H2.
What are the key properties of 2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol?
2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol has a molecular weight of 163.22 g/mol, XLogP of 1.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol is sourced from PubChem (CID 18378645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).