2-(5-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-N-methylacetamide

C12H21N3O — CID 121185551

IUPAC2-(5-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-N-methylacetamide
SMILESCNC(=O)CN1CC2CN(C3CC3)CC2C1
InChIInChI=1S/C12H21N3O/c1-13-12(16)8-14-4-9-6-15(11-2-3-11)7-10(9)5-14/h9-11H,2-8H2,1H3,(H,13,16)
InChIKeyZWFYEBCMYVWCLT-UHFFFAOYSA-N
MW223.32 g/mol
LogP-0.24
Rot. Bonds3

About 2-(5-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-N-methylacetamide

2-(5-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-N-methylacetamide (PubChem CID 121185551) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(5-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(5-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-N-methylacetamide
PubChem CID121185551
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(5-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-N-methylacetamide
SMILESCNC(=O)CN1CC2CN(C3CC3)CC2C1
InChIInChI=1S/C12H21N3O/c1-13-12(16)8-14-4-9-6-15(11-2-3-11)7-10(9)5-14/h9-11H,2-8H2,1H3,(H,13,16)
InChIKeyZWFYEBCMYVWCLT-UHFFFAOYSA-N
XLogP-0.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

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Related Compounds

2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide
CID 63872002
ethane;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide
CID 142367954
N-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide
CID 170394930
2-[(3R)-3-aminopyrrolidin-1-yl]-N-methylacetamide
CID 94340497
2-[(3R)-3-methoxypyrrolidin-1-yl]-N-methylacetamide
CID 130725600
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-methylacetamide
CID 63768000
5-cyclopropyl-2-(cyclopropylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121185558
N-methyl-2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]piperidin-1-yl]acetamide
CID 43691453
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 114802503
2-(3-ethyl-4-hydroxypiperidin-1-yl)-N-methylacetamide
CID 114511071
2-(3-methoxypiperidin-1-yl)-N-methylacetamide
CID 130708427
2-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-methylacetamide
CID 72841925

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-N-methylacetamide?
The IUPAC name of 2-(5-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-N-methylacetamide (CID 121185551) is 2-(5-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-N-methylacetamide.
What is the SMILES notation for 2-(5-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-N-methylacetamide?
The canonical SMILES for 2-(5-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-N-methylacetamide is CNC(=O)CN1CC2CN(C3CC3)CC2C1.
What is the InChIKey of 2-(5-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-N-methylacetamide?
The InChIKey is ZWFYEBCMYVWCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-13-12(16)8-14-4-9-6-15(11-2-3-11)7-10(9)5-14/h9-11H,2-8H2,1H3,(H,13,16).
What are the key properties of 2-(5-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-N-methylacetamide?
2-(5-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-N-methylacetamide has a molecular weight of 223.32 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-N-methylacetamide is sourced from PubChem (CID 121185551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).