7-amino-3-ethyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one

C11H15N3O — CID 164917696

IUPAC7-amino-3-ethyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one
SMILESCCc1cnc2c(c1)CCC(N)C(=O)N2
InChIInChI=1S/C11H15N3O/c1-2-7-5-8-3-4-9(12)11(15)14-10(8)13-6-7/h5-6,9H,2-4,12H2,1H3,(H,13,14,15)
InChIKeyQMLDHJYQOKHHHE-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.86
Rot. Bonds1

About 7-amino-3-ethyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one

7-amino-3-ethyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one (PubChem CID 164917696) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 7-amino-3-ethyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one.

Molecular Properties

Compound Name7-amino-3-ethyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one
PubChem CID164917696
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name7-amino-3-ethyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one
SMILESCCc1cnc2c(c1)CCC(N)C(=O)N2
InChIInChI=1S/C11H15N3O/c1-2-7-5-8-3-4-9(12)11(15)14-10(8)13-6-7/h5-6,9H,2-4,12H2,1H3,(H,13,14,15)
InChIKeyQMLDHJYQOKHHHE-UHFFFAOYSA-N
XLogP0.86
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3-ethyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one?
The IUPAC name of 7-amino-3-ethyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one (CID 164917696) is 7-amino-3-ethyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one.
What is the SMILES notation for 7-amino-3-ethyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one?
The canonical SMILES for 7-amino-3-ethyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one is CCc1cnc2c(c1)CCC(N)C(=O)N2.
What is the InChIKey of 7-amino-3-ethyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one?
The InChIKey is QMLDHJYQOKHHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-7-5-8-3-4-9(12)11(15)14-10(8)13-6-7/h5-6,9H,2-4,12H2,1H3,(H,13,14,15).
What are the key properties of 7-amino-3-ethyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one?
7-amino-3-ethyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one has a molecular weight of 205.26 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-ethyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one is sourced from PubChem (CID 164917696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).