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

C10H10N2O — CID 139231820

IUPAC8-methyl-5H-pyrido[1,2-a][1,3]diazepin-2-one
SMILESCC1=CN2CC=CC(=O)N=C2C=C1
InChIInChI=1S/C10H10N2O/c1-8-4-5-9-11-10(13)3-2-6-12(9)7-8/h2-5,7H,6H2,1H3
InChIKeyFWDHFJKWPPSBRP-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.26
Rot. Bonds

About 8-methyl-5H-pyrido[1,2-a][1,3]diazepin-2-one

8-methyl-5H-pyrido[1,2-a][1,3]diazepin-2-one (PubChem CID 139231820) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 8-methyl-5H-pyrido[1,2-a][1,3]diazepin-2-one.

Molecular Properties

Compound Name8-methyl-5H-pyrido[1,2-a][1,3]diazepin-2-one
PubChem CID139231820
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name8-methyl-5H-pyrido[1,2-a][1,3]diazepin-2-one
SMILESCC1=CN2CC=CC(=O)N=C2C=C1
InChIInChI=1S/C10H10N2O/c1-8-4-5-9-11-10(13)3-2-6-12(9)7-8/h2-5,7H,6H2,1H3
InChIKeyFWDHFJKWPPSBRP-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

2,7-Dimethylpyrido[1,2-a]pyrimidin-4-one
CID 12369824
5H-pyrido[1,2-a][1,3]diazepin-2-one
CID 139231818
1-[(2E,3E,5Z)-2-ethylidene-4,5,6-trifluorohexa-3,5-dienyl]-5-fluoro-2-methylpyrimidin-4-one
CID 145173612
1-[(3,6-Difluorocyclohepta-1,3,4,6-tetraen-1-yl)methyl]-5-fluoro-2-methylpyrimidin-4-one
CID 145173758
3,7-Dimethylpyrido[1,2-a]pyrimidin-4-one
CID 155812076
7-Methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 529100
8-Methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 529101
4,8-Dimethyl-2H-pyrido[1,2-a]pyrimidin-2-one
CID 599966
2-(diethylamino)-N,N-dimethyl-3H-azepine-5-carboxamide
CID 86151925
2-(diethylamino)-N,N-diethyl-3H-azepine-6-carboxamide
CID 134989648
7-Methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-2-one
CID 328373
2H-Pyrido[1,2-a]pyrimidin-2-one, 4,7-dimethyl-
CID 10866826

Frequently Asked Questions

What is the IUPAC name of 8-methyl-5H-pyrido[1,2-a][1,3]diazepin-2-one?
The IUPAC name of 8-methyl-5H-pyrido[1,2-a][1,3]diazepin-2-one (CID 139231820) is 8-methyl-5H-pyrido[1,2-a][1,3]diazepin-2-one.
What is the SMILES notation for 8-methyl-5H-pyrido[1,2-a][1,3]diazepin-2-one?
The canonical SMILES for 8-methyl-5H-pyrido[1,2-a][1,3]diazepin-2-one is CC1=CN2CC=CC(=O)N=C2C=C1.
What is the InChIKey of 8-methyl-5H-pyrido[1,2-a][1,3]diazepin-2-one?
The InChIKey is FWDHFJKWPPSBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-8-4-5-9-11-10(13)3-2-6-12(9)7-8/h2-5,7H,6H2,1H3.
What are the key properties of 8-methyl-5H-pyrido[1,2-a][1,3]diazepin-2-one?
8-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 8-methyl-5H-pyrido[1,2-a][1,3]diazepin-2-one is sourced from PubChem (CID 139231820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).