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

C13H22N2O2 — CID 65160130

IUPAC1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-(oxolan-2-yl)ethanone
SMILESCC1CC2CNCC2N1C(=O)CC1CCCO1
InChIInChI=1S/C13H22N2O2/c1-9-5-10-7-14-8-12(10)15(9)13(16)6-11-3-2-4-17-11/h9-12,14H,2-8H2,1H3
InChIKeyUBAZKLGTBMNOQZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.76
Rot. Bonds2

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

1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-(oxolan-2-yl)ethanone (PubChem CID 65160130) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-(oxolan-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-(oxolan-2-yl)ethanone
PubChem CID65160130
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-(oxolan-2-yl)ethanone
SMILESCC1CC2CNCC2N1C(=O)CC1CCCO1
InChIInChI=1S/C13H22N2O2/c1-9-5-10-7-14-8-12(10)15(9)13(16)6-11-3-2-4-17-11/h9-12,14H,2-8H2,1H3
InChIKeyUBAZKLGTBMNOQZ-UHFFFAOYSA-N
XLogP0.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-3-(oxan-2-yl)propan-1-one
CID 63951966
1-[(2R)-2-methylpiperazin-1-yl]-2-(oxolan-2-yl)ethanone
CID 82704997
(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-pyrrolidin-1-ylmethanone
CID 79161537
N-cyclopropyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide
CID 62697979
3-methyl-4-[2-(oxolan-2-yl)acetyl]piperazine-2,6-dione
CID 66061141
2-methylpropyl (2R,3aS,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxylate
CID 99949268
1-[(2R)-oxolan-2-yl]propan-2-one
CID 12812293
1-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-cyclopentylethanone
CID 124835824
4-methyl-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylic acid
CID 114421923
(3,5-difluorophenyl)-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)methanone
CID 43595623
1-[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 122569051
1-(2,3-dimethylpiperazin-1-yl)-2-(oxan-2-yl)ethanone;hydrochloride
CID 120570972

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-(oxolan-2-yl)ethanone?
The IUPAC name of 1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-(oxolan-2-yl)ethanone (CID 65160130) is 1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-(oxolan-2-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-(oxolan-2-yl)ethanone?
The canonical SMILES for 1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-(oxolan-2-yl)ethanone is CC1CC2CNCC2N1C(=O)CC1CCCO1.
What is the InChIKey of 1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-(oxolan-2-yl)ethanone?
The InChIKey is UBAZKLGTBMNOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9-5-10-7-14-8-12(10)15(9)13(16)6-11-3-2-4-17-11/h9-12,14H,2-8H2,1H3.
What are the key properties of 1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-(oxolan-2-yl)ethanone?
1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-(oxolan-2-yl)ethanone has a molecular weight of 238.33 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-(oxolan-2-yl)ethanone is sourced from PubChem (CID 65160130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).