3-cyclopentyl-1,2,4,6-tetrahydro-3-benzazepin-7-ol

C15H21NO — CID 57437619

IUPAC3-cyclopentyl-1,2,4,6-tetrahydro-3-benzazepin-7-ol
SMILESOC1=CC=C2CCN(C3CCCC3)CC=C2C1
InChIInChI=1S/C15H21NO/c17-15-6-5-12-7-9-16(10-8-13(12)11-15)14-3-1-2-4-14/h5-6,8,14,17H,1-4,7,9-11H2
InChIKeyLJGOTLLPXQGEAU-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.33
Rot. Bonds1

About 3-cyclopentyl-1,2,4,6-tetrahydro-3-benzazepin-7-ol

3-cyclopentyl-1,2,4,6-tetrahydro-3-benzazepin-7-ol (PubChem CID 57437619) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-cyclopentyl-1,2,4,6-tetrahydro-3-benzazepin-7-ol.

Molecular Properties

Compound Name3-cyclopentyl-1,2,4,6-tetrahydro-3-benzazepin-7-ol
PubChem CID57437619
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-cyclopentyl-1,2,4,6-tetrahydro-3-benzazepin-7-ol
SMILESOC1=CC=C2CCN(C3CCCC3)CC=C2C1
InChIInChI=1S/C15H21NO/c17-15-6-5-12-7-9-16(10-8-13(12)11-15)14-3-1-2-4-14/h5-6,8,14,17H,1-4,7,9-11H2
InChIKeyLJGOTLLPXQGEAU-UHFFFAOYSA-N
XLogP3.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1,2,4,6-tetrahydro-3-benzazepin-7-ol?
The IUPAC name of 3-cyclopentyl-1,2,4,6-tetrahydro-3-benzazepin-7-ol (CID 57437619) is 3-cyclopentyl-1,2,4,6-tetrahydro-3-benzazepin-7-ol.
What is the SMILES notation for 3-cyclopentyl-1,2,4,6-tetrahydro-3-benzazepin-7-ol?
The canonical SMILES for 3-cyclopentyl-1,2,4,6-tetrahydro-3-benzazepin-7-ol is OC1=CC=C2CCN(C3CCCC3)CC=C2C1.
What is the InChIKey of 3-cyclopentyl-1,2,4,6-tetrahydro-3-benzazepin-7-ol?
The InChIKey is LJGOTLLPXQGEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c17-15-6-5-12-7-9-16(10-8-13(12)11-15)14-3-1-2-4-14/h5-6,8,14,17H,1-4,7,9-11H2.
What are the key properties of 3-cyclopentyl-1,2,4,6-tetrahydro-3-benzazepin-7-ol?
3-cyclopentyl-1,2,4,6-tetrahydro-3-benzazepin-7-ol has a molecular weight of 231.34 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1,2,4,6-tetrahydro-3-benzazepin-7-ol is sourced from PubChem (CID 57437619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).