2-ethyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one

C9H16N2O — CID 130927080

IUPAC2-ethyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one
SMILESCCN1CC2CCCN2CC1=O
InChIInChI=1S/C9H16N2O/c1-2-10-6-8-4-3-5-11(8)7-9(10)12/h8H,2-7H2,1H3
InChIKeyFNQRJDQEZJNLBJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.31
Rot. Bonds1

About 2-ethyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one

2-ethyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one (PubChem CID 130927080) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-ethyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one.

Molecular Properties

Compound Name2-ethyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one
PubChem CID130927080
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-ethyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one
SMILESCCN1CC2CCCN2CC1=O
InChIInChI=1S/C9H16N2O/c1-2-10-6-8-4-3-5-11(8)7-9(10)12/h8H,2-7H2,1H3
InChIKeyFNQRJDQEZJNLBJ-UHFFFAOYSA-N
XLogP0.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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-ethyl-7,7-dimethyl-4,6,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-3-one
CID 145406806
2-fluoro-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one
CID 142444575
3-ethyl-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 557465
(3R)-1-ethyl-3-(4-piperidin-1-ylpiperidin-1-yl)piperidine
CID 39801895
1-(1-methylpiperidin-3-yl)pyrrolidin-3-one
CID 61223424
2-ethyl-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 112734151
6-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one
CID 69483483
2-ethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 89311495
1-[3-(3-morpholin-4-ylpiperidin-1-yl)butyl]-4-propan-2-ylpiperazin-2-one
CID 164926799
(5R)-4-tert-butyl-1-ethyl-5-methylpiperazin-2-one
CID 168820502
1-(3-methylbutyl)-4-(4-propan-2-ylcyclohexyl)piperazin-2-one
CID 176796740

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one?
The IUPAC name of 2-ethyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one (CID 130927080) is 2-ethyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one.
What is the SMILES notation for 2-ethyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one?
The canonical SMILES for 2-ethyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one is CCN1CC2CCCN2CC1=O.
What is the InChIKey of 2-ethyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one?
The InChIKey is FNQRJDQEZJNLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-10-6-8-4-3-5-11(8)7-9(10)12/h8H,2-7H2,1H3.
What are the key properties of 2-ethyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one?
2-ethyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one has a molecular weight of 168.24 g/mol, XLogP of 0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one is sourced from PubChem (CID 130927080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).