5,6,6a,7,8,12a-hexahydro-4aH-pyrido[1,2-b][2]benzazepin-12-one

C14H17NO — CID 67512975

IUPAC5,6,6a,7,8,12a-hexahydro-4aH-pyrido[1,2-b][2]benzazepin-12-one
SMILESO=C1C2C=CC=CC2CCC2CCC=CN12
InChIInChI=1S/C14H17NO/c16-14-13-7-2-1-5-11(13)8-9-12-6-3-4-10-15(12)14/h1-2,4-5,7,10-13H,3,6,8-9H2
InChIKeyPIJYMXALUUYNQN-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.64
Rot. Bonds

About 5,6,6a,7,8,12a-hexahydro-4aH-pyrido[1,2-b][2]benzazepin-12-one

5,6,6a,7,8,12a-hexahydro-4aH-pyrido[1,2-b][2]benzazepin-12-one (PubChem CID 67512975) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 5,6,6a,7,8,12a-hexahydro-4aH-pyrido[1,2-b][2]benzazepin-12-one.

Molecular Properties

Compound Name5,6,6a,7,8,12a-hexahydro-4aH-pyrido[1,2-b][2]benzazepin-12-one
PubChem CID67512975
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name5,6,6a,7,8,12a-hexahydro-4aH-pyrido[1,2-b][2]benzazepin-12-one
SMILESO=C1C2C=CC=CC2CCC2CCC=CN12
InChIInChI=1S/C14H17NO/c16-14-13-7-2-1-5-11(13)8-9-12-6-3-4-10-15(12)14/h1-2,4-5,7,10-13H,3,6,8-9H2
InChIKeyPIJYMXALUUYNQN-UHFFFAOYSA-N
XLogP2.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5,6,6a,7,8,12a-hexahydro-4aH-pyrido[1,2-b][2]benzazepin-12-one with MolForge

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Related Compounds

(6S)-6-(2,3-difluorocyclohexa-2,4-dien-1-yl)-1-(2,2,2-trifluoroethyl)azepan-2-one
CID 143562723
13a,14,14a,14b-tetrahydro-9aH-isoquinolino[3,2-a][2]benzazepin-9-one
CID 123883569
1-Azatricyclo[6.3.2.04,13]tridec-6-en-12-one
CID 135043435
(4S,8R,11R,13S)-11-propan-2-yl-1-azatricyclo[6.3.2.04,13]tridec-6-en-12-one
CID 102272824
2,3,4,4a,7,8,9,10,11,12a-decahydro-1H-azepino[1,2-b]isoquinolin-5-one
CID 23344255
7-Azatricyclo[9.4.0.02,7]pentadeca-3,5-dien-8-one
CID 54009353
3,6,7,7a,10,11,11a,11b-Octahydropyrrolo[2,1-a][2]benzazepin-5-one
CID 57268068
4,4a,5,6,6a,7,8,12a-octahydro-1H-pyrido[1,2-b][2]benzazepin-12-one
CID 67512881
1,6-Diazatricyclo[9.4.0.03,8]pentadeca-4,6,13-trien-2-one
CID 67517694
2-methyl-4,5,5a,6,7,11-hexahydro-1H-benzo[i][2]benzazepin-3-one
CID 67854154
2,7,7a,8,11,11a,12,12a-octahydro-1H-pyrido[2,1-b][3]benzazepin-6-one
CID 90685402
N-cyclohexa-2,4-dien-1-yl-N-ethenylcyclohexanecarboxamide
CID 163789777

Frequently Asked Questions

What is the IUPAC name of 5,6,6a,7,8,12a-hexahydro-4aH-pyrido[1,2-b][2]benzazepin-12-one?
The IUPAC name of 5,6,6a,7,8,12a-hexahydro-4aH-pyrido[1,2-b][2]benzazepin-12-one (CID 67512975) is 5,6,6a,7,8,12a-hexahydro-4aH-pyrido[1,2-b][2]benzazepin-12-one.
What is the SMILES notation for 5,6,6a,7,8,12a-hexahydro-4aH-pyrido[1,2-b][2]benzazepin-12-one?
The canonical SMILES for 5,6,6a,7,8,12a-hexahydro-4aH-pyrido[1,2-b][2]benzazepin-12-one is O=C1C2C=CC=CC2CCC2CCC=CN12.
What is the InChIKey of 5,6,6a,7,8,12a-hexahydro-4aH-pyrido[1,2-b][2]benzazepin-12-one?
The InChIKey is PIJYMXALUUYNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c16-14-13-7-2-1-5-11(13)8-9-12-6-3-4-10-15(12)14/h1-2,4-5,7,10-13H,3,6,8-9H2.
What are the key properties of 5,6,6a,7,8,12a-hexahydro-4aH-pyrido[1,2-b][2]benzazepin-12-one?
5,6,6a,7,8,12a-hexahydro-4aH-pyrido[1,2-b][2]benzazepin-12-one has a molecular weight of 215.30 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,6a,7,8,12a-hexahydro-4aH-pyrido[1,2-b][2]benzazepin-12-one is sourced from PubChem (CID 67512975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).