5H-pyrido[1,2-a][1,3]diazepin-2-one

C9H8N2O — CID 139231818

IUPAC5H-pyrido[1,2-a][1,3]diazepin-2-one
SMILESO=C1C=CCN2C=CC=CC2=N1
InChIInChI=1S/C9H8N2O/c12-9-5-3-7-11-6-2-1-4-8(11)10-9/h1-6H,7H2
InChIKeyDIQPAKMUMBSERP-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.87
Rot. Bonds

About 5H-pyrido[1,2-a][1,3]diazepin-2-one

5H-pyrido[1,2-a][1,3]diazepin-2-one (PubChem CID 139231818) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 5H-pyrido[1,2-a][1,3]diazepin-2-one.

Molecular Properties

Compound Name5H-pyrido[1,2-a][1,3]diazepin-2-one
PubChem CID139231818
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name5H-pyrido[1,2-a][1,3]diazepin-2-one
SMILESO=C1C=CCN2C=CC=CC2=N1
InChIInChI=1S/C9H8N2O/c12-9-5-3-7-11-6-2-1-4-8(11)10-9/h1-6H,7H2
InChIKeyDIQPAKMUMBSERP-UHFFFAOYSA-N
XLogP0.87
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4H-Pyrido[1,2-a]pyrimidin-4-one
CID 354785
2H-pyrido[1,2-a]pyrimidin-2-one
CID 423945
4-Methyl-2H-pyrido[1,2-a]pyrimidin-2-one
CID 594758
Pyridine, 2-acetylimino-1,2-dihydro-1-methyl-
CID 12496815
7-methyl-5H-pyrido[1,2-a][1,3]diazepin-2-one
CID 139231819
6-Methyl-2H-pyrido[1,2-a]pyrimidin-2-one
CID 21766687
Pyrrolo-[1,2-a][1,3]diazepin-7-one
CID 129873491
8-methyl-5H-pyrido[1,2-a][1,3]diazepin-2-one
CID 139231820
4H-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 67198399
Pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 69322290
Hydron;pyrido[1,2-a]pyrimidin-4-one;chloride
CID 69323143
Pyrido[1,2-a]pyrimidin-4-one;dihydrochloride
CID 70400858

Frequently Asked Questions

What is the IUPAC name of 5H-pyrido[1,2-a][1,3]diazepin-2-one?
The IUPAC name of 5H-pyrido[1,2-a][1,3]diazepin-2-one (CID 139231818) is 5H-pyrido[1,2-a][1,3]diazepin-2-one.
What is the SMILES notation for 5H-pyrido[1,2-a][1,3]diazepin-2-one?
The canonical SMILES for 5H-pyrido[1,2-a][1,3]diazepin-2-one is O=C1C=CCN2C=CC=CC2=N1.
What is the InChIKey of 5H-pyrido[1,2-a][1,3]diazepin-2-one?
The InChIKey is DIQPAKMUMBSERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c12-9-5-3-7-11-6-2-1-4-8(11)10-9/h1-6H,7H2.
What are the key properties of 5H-pyrido[1,2-a][1,3]diazepin-2-one?
5H-pyrido[1,2-a][1,3]diazepin-2-one has a molecular weight of 160.18 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-pyrido[1,2-a][1,3]diazepin-2-one is sourced from PubChem (CID 139231818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).