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

C15H26N2O2 — CID 63951966

IUPAC1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-3-(oxan-2-yl)propan-1-one
SMILESCC1CC2CNCC2N1C(=O)CCC1CCCCO1
InChIInChI=1S/C15H26N2O2/c1-11-8-12-9-16-10-14(12)17(11)15(18)6-5-13-4-2-3-7-19-13/h11-14,16H,2-10H2,1H3
InChIKeyWIZVNWGHWMPVPW-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.54
Rot. Bonds3

About 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

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 (PubChem CID 63951966) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-3-(oxan-2-yl)propan-1-one
PubChem CID63951966
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-3-(oxan-2-yl)propan-1-one
SMILESCC1CC2CNCC2N1C(=O)CCC1CCCCO1
InChIInChI=1S/C15H26N2O2/c1-11-8-12-9-16-10-14(12)17(11)15(18)6-5-13-4-2-3-7-19-13/h11-14,16H,2-10H2,1H3
InChIKeyWIZVNWGHWMPVPW-UHFFFAOYSA-N
XLogP1.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.54
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)-3-(oxan-2-yl)propan-1-one 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)-2-(oxolan-2-yl)ethanone
CID 65160130
1-(2-methylpiperazin-1-yl)-3-(oxan-2-yl)propan-1-one
CID 63951169
(2S,3aS,7aR)-1-[3-[(2S)-oxan-2-yl]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125148631
3-(oxan-2-yl)-1-piperazin-1-ylpropan-1-one
CID 63953500
1-[(2R,3aS,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-(3-methylcyclohexyl)ethanone
CID 166250727
1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(oxolan-2-yl)propan-1-one
CID 66244385
(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-pyrrolidin-1-ylmethanone
CID 79161537
1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-3-(oxan-2-yl)propan-1-one
CID 81211564
2-adamantyl-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl)methanone
CID 81099765
N-cyclopropyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide
CID 62697979
1-(3-chloro-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one
CID 102961397
3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride
CID 162327782

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)-3-(oxan-2-yl)propan-1-one?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CC2CNCC2N1C(=O)CCC1CCCCO1.
What is the InChIKey of 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?
The InChIKey is WIZVNWGHWMPVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-11-8-12-9-16-10-14(12)17(11)15(18)6-5-13-4-2-3-7-19-13/h11-14,16H,2-10H2,1H3.
What are the key properties of 1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-3-(oxan-2-yl)propan-1-one?
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 has a molecular weight of 266.38 g/mol, XLogP of 1.54, 3 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)-3-(oxan-2-yl)propan-1-one is sourced from PubChem (CID 63951966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).