3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide

C10H15N3O3 — CID 79938669

IUPAC3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide
SMILESNC(=O)CCN1CC(=O)N2CCCC2C1=O
InChIInChI=1S/C10H15N3O3/c11-8(14)3-5-12-6-9(15)13-4-1-2-7(13)10(12)16/h7H,1-6H2,(H2,11,14)
InChIKeyNXRAYJDMEOUYFR-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.30
Rot. Bonds3

About 3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide

3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide (PubChem CID 79938669) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide.

Molecular Properties

Compound Name3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide
PubChem CID79938669
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide
SMILESNC(=O)CCN1CC(=O)N2CCCC2C1=O
InChIInChI=1S/C10H15N3O3/c11-8(14)3-5-12-6-9(15)13-4-1-2-7(13)10(12)16/h7H,1-6H2,(H2,11,14)
InChIKeyNXRAYJDMEOUYFR-UHFFFAOYSA-N
XLogP-1.30
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide?
The IUPAC name of 3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide (CID 79938669) is 3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide.
What is the SMILES notation for 3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide?
The canonical SMILES for 3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide is NC(=O)CCN1CC(=O)N2CCCC2C1=O.
What is the InChIKey of 3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide?
The InChIKey is NXRAYJDMEOUYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c11-8(14)3-5-12-6-9(15)13-4-1-2-7(13)10(12)16/h7H,1-6H2,(H2,11,14).
What are the key properties of 3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide?
3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide has a molecular weight of 225.25 g/mol, XLogP of -1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide is sourced from PubChem (CID 79938669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).