2-(1-methylcyclopentyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

C16H26N2O2 — CID 79944933

IUPAC2-(1-methylcyclopentyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCC(C)C1C(=O)N2CCCC2C(=O)N1C1(C)CCCC1
InChIInChI=1S/C16H26N2O2/c1-11(2)13-15(20)17-10-6-7-12(17)14(19)18(13)16(3)8-4-5-9-16/h11-13H,4-10H2,1-3H3
InChIKeyVYKBMQUPKFYXEK-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.18
Rot. Bonds2

About 2-(1-methylcyclopentyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

2-(1-methylcyclopentyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 79944933) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(1-methylcyclopentyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-(1-methylcyclopentyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID79944933
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(1-methylcyclopentyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCC(C)C1C(=O)N2CCCC2C(=O)N1C1(C)CCCC1
InChIInChI=1S/C16H26N2O2/c1-11(2)13-15(20)17-10-6-7-12(17)14(19)18(13)16(3)8-4-5-9-16/h11-13H,4-10H2,1-3H3
InChIKeyVYKBMQUPKFYXEK-UHFFFAOYSA-N
XLogP2.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-2-(1-methylcyclopentyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944865
2-(dicyclopropylmethyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79923174
3-methyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64968328
2-cyclopropyl-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932805
2-(1-methylcyclopentyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944728
2-(2-methylcyclohexyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79923539
3-butan-2-yl-1-(1-methylcyclopentyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64973556
2-(3-methylpentan-3-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 106329116
2-(2-methylbut-3-yn-2-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944791
2-(3-methylcyclopentyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 114551336
3-ethyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64968282
2-(4-chlorophenyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79923788

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclopentyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2-(1-methylcyclopentyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 79944933) is 2-(1-methylcyclopentyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 2-(1-methylcyclopentyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-(1-methylcyclopentyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is CC(C)C1C(=O)N2CCCC2C(=O)N1C1(C)CCCC1.
What is the InChIKey of 2-(1-methylcyclopentyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is VYKBMQUPKFYXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(2)13-15(20)17-10-6-7-12(17)14(19)18(13)16(3)8-4-5-9-16/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-(1-methylcyclopentyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
2-(1-methylcyclopentyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 278.40 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclopentyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79944933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).