2,3,3-trimethyl-N-[3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)cyclopentyl]butanamide

C19H33N3O2 — CID 126827374

IUPAC2,3,3-trimethyl-N-[3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)cyclopentyl]butanamide
SMILESCC(C(=O)NC1CCC(N2CCN3C(=O)CCC3C2)C1)C(C)(C)C
InChIInChI=1S/C19H33N3O2/c1-13(19(2,3)4)18(24)20-14-5-6-15(11-14)21-9-10-22-16(12-21)7-8-17(22)23/h13-16H,5-12H2,1-4H3,(H,20,24)
InChIKeyNYZGGFDQNXWLSZ-UHFFFAOYSA-N
MW335.49 g/mol
LogP2.01
Rot. Bonds3

About 2,3,3-trimethyl-N-[3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)cyclopentyl]butanamide

2,3,3-trimethyl-N-[3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)cyclopentyl]butanamide (PubChem CID 126827374) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 2,3,3-trimethyl-N-[3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)cyclopentyl]butanamide.

Molecular Properties

Compound Name2,3,3-trimethyl-N-[3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)cyclopentyl]butanamide
PubChem CID126827374
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name2,3,3-trimethyl-N-[3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)cyclopentyl]butanamide
SMILESCC(C(=O)NC1CCC(N2CCN3C(=O)CCC3C2)C1)C(C)(C)C
InChIInChI=1S/C19H33N3O2/c1-13(19(2,3)4)18(24)20-14-5-6-15(11-14)21-9-10-22-16(12-21)7-8-17(22)23/h13-16H,5-12H2,1-4H3,(H,20,24)
InChIKeyNYZGGFDQNXWLSZ-UHFFFAOYSA-N
XLogP2.01
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-N-[3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)cyclopentyl]butanamide?
The IUPAC name of 2,3,3-trimethyl-N-[3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)cyclopentyl]butanamide (CID 126827374) is 2,3,3-trimethyl-N-[3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)cyclopentyl]butanamide.
What is the SMILES notation for 2,3,3-trimethyl-N-[3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)cyclopentyl]butanamide?
The canonical SMILES for 2,3,3-trimethyl-N-[3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)cyclopentyl]butanamide is CC(C(=O)NC1CCC(N2CCN3C(=O)CCC3C2)C1)C(C)(C)C.
What is the InChIKey of 2,3,3-trimethyl-N-[3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)cyclopentyl]butanamide?
The InChIKey is NYZGGFDQNXWLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-13(19(2,3)4)18(24)20-14-5-6-15(11-14)21-9-10-22-16(12-21)7-8-17(22)23/h13-16H,5-12H2,1-4H3,(H,20,24).
What are the key properties of 2,3,3-trimethyl-N-[3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)cyclopentyl]butanamide?
2,3,3-trimethyl-N-[3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)cyclopentyl]butanamide has a molecular weight of 335.49 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-N-[3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)cyclopentyl]butanamide is sourced from PubChem (CID 126827374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).