2-[3-(2-aminoethyl)cyclohexanecarbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C16H27N3O2 — CID 82858606

IUPAC2-[3-(2-aminoethyl)cyclohexanecarbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESNCCC1CCCC(C(=O)N2CCN3C(=O)CCC3C2)C1
InChIInChI=1S/C16H27N3O2/c17-7-6-12-2-1-3-13(10-12)16(21)18-8-9-19-14(11-18)4-5-15(19)20/h12-14H,1-11,17H2
InChIKeyZHIDLWPFULNFPJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.97
Rot. Bonds3

About 2-[3-(2-aminoethyl)cyclohexanecarbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

2-[3-(2-aminoethyl)cyclohexanecarbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82858606) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)cyclohexanecarbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)cyclohexanecarbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82858606
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[3-(2-aminoethyl)cyclohexanecarbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESNCCC1CCCC(C(=O)N2CCN3C(=O)CCC3C2)C1
InChIInChI=1S/C16H27N3O2/c17-7-6-12-2-1-3-13(10-12)16(21)18-8-9-19-14(11-18)4-5-15(19)20/h12-14H,1-11,17H2
InChIKeyZHIDLWPFULNFPJ-UHFFFAOYSA-N
XLogP0.97
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminocyclopentanecarbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82855600
[3-(2-aminoethyl)cyclohexyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 55115174
2-[3-(3-aminocyclohexyl)propanoyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82858605
2-(bicyclo[3.1.0]hexane-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863196
2-(piperidine-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862840
2-[2-(aminomethyl)cyclohexanecarbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82855324
[3-(2-aminoethyl)piperidin-1-yl]-cyclobutylmethanone
CID 63766706
2-[1-[3-(2-aminoethyl)cyclohexanecarbonyl]piperidin-4-yl]acetamide
CID 62807118
2-(4-aminobutanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863221
2-(6-oxopiperidine-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863483
[3-(2-aminoethyl)cyclohexyl]-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107226614
2-[3-(4-aminocyclohexyl)propanoyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82858604

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)cyclohexanecarbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-[3-(2-aminoethyl)cyclohexanecarbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82858606) is 2-[3-(2-aminoethyl)cyclohexanecarbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-[3-(2-aminoethyl)cyclohexanecarbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-[3-(2-aminoethyl)cyclohexanecarbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is NCCC1CCCC(C(=O)N2CCN3C(=O)CCC3C2)C1.
What is the InChIKey of 2-[3-(2-aminoethyl)cyclohexanecarbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is ZHIDLWPFULNFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c17-7-6-12-2-1-3-13(10-12)16(21)18-8-9-19-14(11-18)4-5-15(19)20/h12-14H,1-11,17H2.
What are the key properties of 2-[3-(2-aminoethyl)cyclohexanecarbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-[3-(2-aminoethyl)cyclohexanecarbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 293.41 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)cyclohexanecarbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82858606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).