1-methyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrrolidin-2-one

C12H21N3O — CID 66208843

IUPAC1-methyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrrolidin-2-one
SMILESCC1C2CNCC2CN1C1CCN(C)C1=O
InChIInChI=1S/C12H21N3O/c1-8-10-6-13-5-9(10)7-15(8)11-3-4-14(2)12(11)16/h8-11,13H,3-7H2,1-2H3
InChIKeyGHYVKURHGXVXPY-UHFFFAOYSA-N
MW223.32 g/mol
LogP-0.24
Rot. Bonds1

About 1-methyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrrolidin-2-one

1-methyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrrolidin-2-one (PubChem CID 66208843) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-methyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrrolidin-2-one
PubChem CID66208843
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-methyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrrolidin-2-one
SMILESCC1C2CNCC2CN1C1CCN(C)C1=O
InChIInChI=1S/C12H21N3O/c1-8-10-6-13-5-9(10)7-15(8)11-3-4-14(2)12(11)16/h8-11,13H,3-7H2,1-2H3
InChIKeyGHYVKURHGXVXPY-UHFFFAOYSA-N
XLogP-0.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrrolidin-2-one with MolForge

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Related Compounds

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CID 115419466
4-methyl-5-(1-propan-2-ylazepan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
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(3aR,6aS)-5-methyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-4-one
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CID 115466808
5-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
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1-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-2-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrrolidin-2-one (CID 66208843) is 1-methyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrrolidin-2-one is CC1C2CNCC2CN1C1CCN(C)C1=O.
What is the InChIKey of 1-methyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrrolidin-2-one?
The InChIKey is GHYVKURHGXVXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8-10-6-13-5-9(10)7-15(8)11-3-4-14(2)12(11)16/h8-11,13H,3-7H2,1-2H3.
What are the key properties of 1-methyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrrolidin-2-one?
1-methyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrrolidin-2-one has a molecular weight of 223.32 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 66208843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).