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

C10H10N2O — CID 139231819

IUPAC7-methyl-5H-pyrido[1,2-a][1,3]diazepin-2-one
SMILESCC1=CC=CC2=NC(=O)C=CCN12
InChIInChI=1S/C10H10N2O/c1-8-4-2-5-9-11-10(13)6-3-7-12(8)9/h2-6H,7H2,1H3
InChIKeyBECICENJHPAQGZ-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.26
Rot. Bonds

About 7-methyl-5H-pyrido[1,2-a][1,3]diazepin-2-one

7-methyl-5H-pyrido[1,2-a][1,3]diazepin-2-one (PubChem CID 139231819) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 7-methyl-5H-pyrido[1,2-a][1,3]diazepin-2-one.

Molecular Properties

Compound Name7-methyl-5H-pyrido[1,2-a][1,3]diazepin-2-one
PubChem CID139231819
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name7-methyl-5H-pyrido[1,2-a][1,3]diazepin-2-one
SMILESCC1=CC=CC2=NC(=O)C=CCN12
InChIInChI=1S/C10H10N2O/c1-8-4-2-5-9-11-10(13)6-3-7-12(8)9/h2-6H,7H2,1H3
InChIKeyBECICENJHPAQGZ-UHFFFAOYSA-N
XLogP1.26
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 278093
2,6-Dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 599968
4-Methyl-2H-pyrido[1,2-a]pyrimidin-2-one
CID 594758
4,6-Dimethyl-pyrido[1,2-a]pyrimidin-2-one
CID 11052146
6-Methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 529103
5H-pyrido[1,2-a][1,3]diazepin-2-one
CID 139231818
6-Methyl-2H-pyrido[1,2-a]pyrimidin-2-one
CID 21766687
4(3H)-Pyrimidinone, 3-ethyl-2,6-dimethyl-
CID 592279
4H-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 67198399
1-(2-Ethenylimino-1-pyridinyl)ethanone
CID 89211494
Ethane;2-methylpyrido[1,2-a]pyrimidin-4-one
CID 90734882
Ethane;3-methylideneimidazo[1,2-a]pyridin-2-one
CID 91158893

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5H-pyrido[1,2-a][1,3]diazepin-2-one?
The IUPAC name of 7-methyl-5H-pyrido[1,2-a][1,3]diazepin-2-one (CID 139231819) is 7-methyl-5H-pyrido[1,2-a][1,3]diazepin-2-one.
What is the SMILES notation for 7-methyl-5H-pyrido[1,2-a][1,3]diazepin-2-one?
The canonical SMILES for 7-methyl-5H-pyrido[1,2-a][1,3]diazepin-2-one is CC1=CC=CC2=NC(=O)C=CCN12.
What is the InChIKey of 7-methyl-5H-pyrido[1,2-a][1,3]diazepin-2-one?
The InChIKey is BECICENJHPAQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-8-4-2-5-9-11-10(13)6-3-7-12(8)9/h2-6H,7H2,1H3.
What are the key properties of 7-methyl-5H-pyrido[1,2-a][1,3]diazepin-2-one?
7-methyl-5H-pyrido[1,2-a][1,3]diazepin-2-one has a molecular weight of 174.20 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5H-pyrido[1,2-a][1,3]diazepin-2-one is sourced from PubChem (CID 139231819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).