(3R)-3-pyridin-3-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one

C15H14N2O — CID 129404885

IUPAC(3R)-3-pyridin-3-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1Nc2ccccc2CC[C@@H]1c1cccnc1
InChIInChI=1S/C15H14N2O/c18-15-13(12-5-3-9-16-10-12)8-7-11-4-1-2-6-14(11)17-15/h1-6,9-10,13H,7-8H2,(H,17,18)/t13-/m1/s1
InChIKeyOTHXPJMRFVIBCY-CYBMUJFWSA-N
MW238.29 g/mol
LogP2.75
Rot. Bonds1

About (3R)-3-pyridin-3-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one

(3R)-3-pyridin-3-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 129404885) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is (3R)-3-pyridin-3-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name(3R)-3-pyridin-3-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID129404885
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name(3R)-3-pyridin-3-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1Nc2ccccc2CC[C@@H]1c1cccnc1
InChIInChI=1S/C15H14N2O/c18-15-13(12-5-3-9-16-10-12)8-7-11-4-1-2-6-14(11)17-15/h1-6,9-10,13H,7-8H2,(H,17,18)/t13-/m1/s1
InChIKeyOTHXPJMRFVIBCY-CYBMUJFWSA-N
XLogP2.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-pyridin-3-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of (3R)-3-pyridin-3-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 129404885) is (3R)-3-pyridin-3-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for (3R)-3-pyridin-3-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for (3R)-3-pyridin-3-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one is O=C1Nc2ccccc2CC[C@@H]1c1cccnc1.
What is the InChIKey of (3R)-3-pyridin-3-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is OTHXPJMRFVIBCY-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H14N2O/c18-15-13(12-5-3-9-16-10-12)8-7-11-4-1-2-6-14(11)17-15/h1-6,9-10,13H,7-8H2,(H,17,18)/t13-/m1/s1.
What are the key properties of (3R)-3-pyridin-3-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
(3R)-3-pyridin-3-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 238.29 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-pyridin-3-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 129404885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).