1-(3-methylidene-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)ethanone

C11H18N2O — CID 131092196

IUPAC1-(3-methylidene-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)ethanone
SMILESC=C1CN2CCCCC2CN1C(C)=O
InChIInChI=1S/C11H18N2O/c1-9-7-12-6-4-3-5-11(12)8-13(9)10(2)14/h11H,1,3-8H2,2H3
InChIKeyXHBWEMPXAUOPEQ-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.22
Rot. Bonds

About 1-(3-methylidene-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)ethanone

1-(3-methylidene-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)ethanone (PubChem CID 131092196) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(3-methylidene-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-methylidene-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)ethanone
PubChem CID131092196
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(3-methylidene-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)ethanone
SMILESC=C1CN2CCCCC2CN1C(C)=O
InChIInChI=1S/C11H18N2O/c1-9-7-12-6-4-3-5-11(12)8-13(9)10(2)14/h11H,1,3-8H2,2H3
InChIKeyXHBWEMPXAUOPEQ-UHFFFAOYSA-N
XLogP1.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-methylidene-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)ethanone with MolForge

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Related Compounds

2-ethyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one
CID 130774971
2-acetyl-1,3,4,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepin-5-one
CID 58357133
1-(1-cycloheptylpiperidin-3-yl)ethanone
CID 82926630
2-fluoro-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one
CID 142444575
1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide
CID 110098556
(6S)-1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide
CID 124972494
1-azabicyclo[9.1.0]dodecane
CID 87228787
2-ethyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one
CID 130927080
1-(4-cyclopentylpiperazin-1-yl)ethanone;ethane
CID 143413632
2-(2-methylprop-2-enyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 115674890
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 78942270
(2R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxylic acid
CID 98202645

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylidene-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)ethanone?
The IUPAC name of 1-(3-methylidene-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)ethanone (CID 131092196) is 1-(3-methylidene-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)ethanone.
What is the SMILES notation for 1-(3-methylidene-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)ethanone?
The canonical SMILES for 1-(3-methylidene-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)ethanone is C=C1CN2CCCCC2CN1C(C)=O.
What is the InChIKey of 1-(3-methylidene-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)ethanone?
The InChIKey is XHBWEMPXAUOPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9-7-12-6-4-3-5-11(12)8-13(9)10(2)14/h11H,1,3-8H2,2H3.
What are the key properties of 1-(3-methylidene-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)ethanone?
1-(3-methylidene-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)ethanone has a molecular weight of 194.28 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylidene-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)ethanone is sourced from PubChem (CID 131092196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).