2-acetyl-1,3,4,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepin-5-one

C11H18N2O2 — CID 58357133

IUPAC2-acetyl-1,3,4,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepin-5-one
SMILESCC(=O)N1CCC(=O)N2CCCCC2C1
InChIInChI=1S/C11H18N2O2/c1-9(14)12-7-5-11(15)13-6-3-2-4-10(13)8-12/h10H,2-8H2,1H3
InChIKeyAHLAIYPTOSARNN-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.62
Rot. Bonds

About 2-acetyl-1,3,4,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepin-5-one

2-acetyl-1,3,4,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepin-5-one (PubChem CID 58357133) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-acetyl-1,3,4,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepin-5-one.

Molecular Properties

Compound Name2-acetyl-1,3,4,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepin-5-one
PubChem CID58357133
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-acetyl-1,3,4,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepin-5-one
SMILESCC(=O)N1CCC(=O)N2CCCCC2C1
InChIInChI=1S/C11H18N2O2/c1-9(14)12-7-5-11(15)13-6-3-2-4-10(13)8-12/h10H,2-8H2,1H3
InChIKeyAHLAIYPTOSARNN-UHFFFAOYSA-N
XLogP0.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-acetyl-1,3,4,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepin-5-one with MolForge

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Related Compounds

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CID 58166183
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CID 74505840
1-azabicyclo[5.5.0]dodecan-2-one
CID 11063030
1-(4-acetylcyclohexyl)piperidin-2-one
CID 58664390
1-cyclodecylpyrrolidin-2-one
CID 138507623
tert-butyl 3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 170992985
azane;1-cyclohexylpyrrolidin-2-one
CID 172723863
(10aS)-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one
CID 86313694
N-cyclopentyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
CID 115870401
2-(3-methylpiperidine-1-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 116657200
2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11789283
(8aR)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11051727

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-1,3,4,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepin-5-one?
The IUPAC name of 2-acetyl-1,3,4,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepin-5-one (CID 58357133) is 2-acetyl-1,3,4,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepin-5-one.
What is the SMILES notation for 2-acetyl-1,3,4,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepin-5-one?
The canonical SMILES for 2-acetyl-1,3,4,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepin-5-one is CC(=O)N1CCC(=O)N2CCCCC2C1.
What is the InChIKey of 2-acetyl-1,3,4,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepin-5-one?
The InChIKey is AHLAIYPTOSARNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9(14)12-7-5-11(15)13-6-3-2-4-10(13)8-12/h10H,2-8H2,1H3.
What are the key properties of 2-acetyl-1,3,4,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepin-5-one?
2-acetyl-1,3,4,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepin-5-one has a molecular weight of 210.28 g/mol, XLogP of 0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-1,3,4,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepin-5-one is sourced from PubChem (CID 58357133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).