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

C16H26N2O2 — CID 114551336

IUPAC2-(3-methylcyclopentyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCC1CCC(N2C(=O)C3CCCN3C(=O)C2C(C)C)C1
InChIInChI=1S/C16H26N2O2/c1-10(2)14-16(20)17-8-4-5-13(17)15(19)18(14)12-7-6-11(3)9-12/h10-14H,4-9H2,1-3H3
InChIKeyVZLDXBRQIPMLGM-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.03
Rot. Bonds2

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

2-(3-methylcyclopentyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 114551336) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(3-methylcyclopentyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-(3-methylcyclopentyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID114551336
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(3-methylcyclopentyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCC1CCC(N2C(=O)C3CCCN3C(=O)C2C(C)C)C1
InChIInChI=1S/C16H26N2O2/c1-10(2)14-16(20)17-8-4-5-13(17)15(19)18(14)12-7-6-11(3)9-12/h10-14H,4-9H2,1-3H3
InChIKeyVZLDXBRQIPMLGM-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclopentyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2-(3-methylcyclopentyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 114551336) is 2-(3-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-(3-methylcyclopentyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-(3-methylcyclopentyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is CC1CCC(N2C(=O)C3CCCN3C(=O)C2C(C)C)C1.
What is the InChIKey of 2-(3-methylcyclopentyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is VZLDXBRQIPMLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-10(2)14-16(20)17-8-4-5-13(17)15(19)18(14)12-7-6-11(3)9-12/h10-14H,4-9H2,1-3H3.
What are the key properties of 2-(3-methylcyclopentyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
2-(3-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 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclopentyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 114551336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).