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

C16H28N2O2 — CID 79944980

IUPAC3-methyl-2-(6-methylheptan-2-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCC(C)CCCC(C)N1C(=O)C2CCCN2C(=O)C1C
InChIInChI=1S/C16H28N2O2/c1-11(2)7-5-8-12(3)18-13(4)15(19)17-10-6-9-14(17)16(18)20/h11-14H,5-10H2,1-4H3
InChIKeyUDCKWNMTSHNTRS-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.42
Rot. Bonds5

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

3-methyl-2-(6-methylheptan-2-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 79944980) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-methyl-2-(6-methylheptan-2-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name3-methyl-2-(6-methylheptan-2-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID79944980
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3-methyl-2-(6-methylheptan-2-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCC(C)CCCC(C)N1C(=O)C2CCCN2C(=O)C1C
InChIInChI=1S/C16H28N2O2/c1-11(2)7-5-8-12(3)18-13(4)15(19)17-10-6-9-14(17)16(18)20/h11-14H,5-10H2,1-4H3
InChIKeyUDCKWNMTSHNTRS-UHFFFAOYSA-N
XLogP2.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-(3-methylbutan-2-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944460
3-ethyl-2-(5-methylhexan-2-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79916238
2-hexan-2-yl-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79916679
3-ethyl-2-(3-methylbutyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944241
3-ethyl-2-(4-methoxybutan-2-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932486
2-pentan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944595
2-(2,2-dicyclopropylethyl)-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79925885
2-octan-2-yl-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 79944410
2-(dicyclopropylmethyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79923174
1-(6-methylheptan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64965166
2-hexyl-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944085
2-methyl-3-(6-methylheptan-2-yl)-5-propan-2-ylimidazolidin-4-one
CID 83252163

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(6-methylheptan-2-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 3-methyl-2-(6-methylheptan-2-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 79944980) is 3-methyl-2-(6-methylheptan-2-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 3-methyl-2-(6-methylheptan-2-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 3-methyl-2-(6-methylheptan-2-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is CC(C)CCCC(C)N1C(=O)C2CCCN2C(=O)C1C.
What is the InChIKey of 3-methyl-2-(6-methylheptan-2-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is UDCKWNMTSHNTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-11(2)7-5-8-12(3)18-13(4)15(19)17-10-6-9-14(17)16(18)20/h11-14H,5-10H2,1-4H3.
What are the key properties of 3-methyl-2-(6-methylheptan-2-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
3-methyl-2-(6-methylheptan-2-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 280.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(6-methylheptan-2-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79944980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).