2-ethyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one

C10H18N2O — CID 130774971

IUPAC2-ethyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one
SMILESCCN1CC2CCCCN2CC1=O
InChIInChI=1S/C10H18N2O/c1-2-11-7-9-5-3-4-6-12(9)8-10(11)13/h9H,2-8H2,1H3
InChIKeySZSTWKHPBHDQNJ-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.70
Rot. Bonds1

About 2-ethyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one

2-ethyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one (PubChem CID 130774971) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-ethyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one.

Molecular Properties

Compound Name2-ethyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one
PubChem CID130774971
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-ethyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one
SMILESCCN1CC2CCCCN2CC1=O
InChIInChI=1S/C10H18N2O/c1-2-11-7-9-5-3-4-6-12(9)8-10(11)13/h9H,2-8H2,1H3
InChIKeySZSTWKHPBHDQNJ-UHFFFAOYSA-N
XLogP0.70
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one
CID 130927080
2-fluoro-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one
CID 142444575
2-ethyl-7,7-dimethyl-4,6,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-3-one
CID 145406806
1-azabicyclo[9.1.0]dodecane
CID 87228787
1-(3-methylidene-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)ethanone
CID 131092196
butane;bis(1-cyclohexylpyrrolidine);dihydrate
CID 175247747
3-ethyl-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 557465
1-[2-oxo-2-(3-pyrrolidin-1-ylazepan-1-yl)ethyl]azocan-2-one
CID 56783393
(3R)-1-ethyl-3-(4-piperidin-1-ylpiperidin-1-yl)piperidine
CID 39801895
1-methyl-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-2-one
CID 58645319
1-cyclohexylazocane
CID 23151203
1-cyclooctylpyrrolidine
CID 23277874

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one?
The IUPAC name of 2-ethyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one (CID 130774971) is 2-ethyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one.
What is the SMILES notation for 2-ethyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one?
The canonical SMILES for 2-ethyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one is CCN1CC2CCCCN2CC1=O.
What is the InChIKey of 2-ethyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one?
The InChIKey is SZSTWKHPBHDQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-11-7-9-5-3-4-6-12(9)8-10(11)13/h9H,2-8H2,1H3.
What are the key properties of 2-ethyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one?
2-ethyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one has a molecular weight of 182.27 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one is sourced from PubChem (CID 130774971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).