3-(1H-3-benzazepin-2-yl)propan-1-ol

C13H15NO — CID 154202951

IUPAC3-(1H-3-benzazepin-2-yl)propan-1-ol
SMILESOCCCC1=NC=Cc2ccccc2C1
InChIInChI=1S/C13H15NO/c15-9-3-6-13-10-12-5-2-1-4-11(12)7-8-14-13/h1-2,4-5,7-8,15H,3,6,9-10H2
InChIKeyDCCDVZVNJYKITI-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.43
Rot. Bonds3

About 3-(1H-3-benzazepin-2-yl)propan-1-ol

3-(1H-3-benzazepin-2-yl)propan-1-ol (PubChem CID 154202951) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(1H-3-benzazepin-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1H-3-benzazepin-2-yl)propan-1-ol
PubChem CID154202951
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3-(1H-3-benzazepin-2-yl)propan-1-ol
SMILESOCCCC1=NC=Cc2ccccc2C1
InChIInChI=1S/C13H15NO/c15-9-3-6-13-10-12-5-2-1-4-11(12)7-8-14-13/h1-2,4-5,7-8,15H,3,6,9-10H2
InChIKeyDCCDVZVNJYKITI-UHFFFAOYSA-N
XLogP2.43
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-3-benzazepin-2-yl)propan-1-ol?
The IUPAC name of 3-(1H-3-benzazepin-2-yl)propan-1-ol (CID 154202951) is 3-(1H-3-benzazepin-2-yl)propan-1-ol.
What is the SMILES notation for 3-(1H-3-benzazepin-2-yl)propan-1-ol?
The canonical SMILES for 3-(1H-3-benzazepin-2-yl)propan-1-ol is OCCCC1=NC=Cc2ccccc2C1.
What is the InChIKey of 3-(1H-3-benzazepin-2-yl)propan-1-ol?
The InChIKey is DCCDVZVNJYKITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c15-9-3-6-13-10-12-5-2-1-4-11(12)7-8-14-13/h1-2,4-5,7-8,15H,3,6,9-10H2.
What are the key properties of 3-(1H-3-benzazepin-2-yl)propan-1-ol?
3-(1H-3-benzazepin-2-yl)propan-1-ol has a molecular weight of 201.27 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-3-benzazepin-2-yl)propan-1-ol is sourced from PubChem (CID 154202951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).