10-amino-1,9-dimethyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one

C11H17N3O — CID 96616522

IUPAC10-amino-1,9-dimethyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one
SMILESCc1cc(=O)n2c(c1N)N(C)CCCC2
InChIInChI=1S/C11H17N3O/c1-8-7-9(15)14-6-4-3-5-13(2)11(14)10(8)12/h7H,3-6,12H2,1-2H3
InChIKeyVLLIWOAAGOLDEE-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.97
Rot. Bonds

About 10-amino-1,9-dimethyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one

10-amino-1,9-dimethyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one (PubChem CID 96616522) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 10-amino-1,9-dimethyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one.

Molecular Properties

Compound Name10-amino-1,9-dimethyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one
PubChem CID96616522
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name10-amino-1,9-dimethyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one
SMILESCc1cc(=O)n2c(c1N)N(C)CCCC2
InChIInChI=1S/C11H17N3O/c1-8-7-9(15)14-6-4-3-5-13(2)11(14)10(8)12/h7H,3-6,12H2,1-2H3
InChIKeyVLLIWOAAGOLDEE-UHFFFAOYSA-N
XLogP0.97
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-amino-1,9-dimethyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one?
The IUPAC name of 10-amino-1,9-dimethyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one (CID 96616522) is 10-amino-1,9-dimethyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one.
What is the SMILES notation for 10-amino-1,9-dimethyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one?
The canonical SMILES for 10-amino-1,9-dimethyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one is Cc1cc(=O)n2c(c1N)N(C)CCCC2.
What is the InChIKey of 10-amino-1,9-dimethyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one?
The InChIKey is VLLIWOAAGOLDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-7-9(15)14-6-4-3-5-13(2)11(14)10(8)12/h7H,3-6,12H2,1-2H3.
What are the key properties of 10-amino-1,9-dimethyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one?
10-amino-1,9-dimethyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one has a molecular weight of 207.28 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-amino-1,9-dimethyl-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-7-one is sourced from PubChem (CID 96616522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).