1-(2-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-one

C13H24N2O — CID 155751712

IUPAC1-(2-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-one
SMILESCCCCN1CC2CN(C(=O)CC)CC2C1
InChIInChI=1S/C13H24N2O/c1-3-5-6-14-7-11-9-15(13(16)4-2)10-12(11)8-14/h11-12H,3-10H2,1-2H3
InChIKeyHEXAQOKAOABHAS-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.59
Rot. Bonds4

About 1-(2-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-one

1-(2-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-one (PubChem CID 155751712) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(2-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-one
PubChem CID155751712
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(2-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-one
SMILESCCCCN1CC2CN(C(=O)CC)CC2C1
InChIInChI=1S/C13H24N2O/c1-3-5-6-14-7-11-9-15(13(16)4-2)10-12(11)8-14/h11-12H,3-10H2,1-2H3
InChIKeyHEXAQOKAOABHAS-UHFFFAOYSA-N
XLogP1.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-methylpentyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one
CID 155750738
ethane;1-[(1S,5R)-3-pentyl-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
CID 155750957
2-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 123306364
1-(2-butyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one;ethane
CID 170584310
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)hexan-3-one
CID 106801549
(3S,4S)-1-hexadecylpyrrolidine-3,4-diol
CID 129411144
1-[3-(2-methylpropyl)azetidin-1-yl]propan-1-one
CID 126603690
1-(1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-2-yl)propan-1-one
CID 130577913
1-(4-butylsulfonylpiperazin-1-yl)propan-1-one
CID 110817146
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)propan-1-one
CID 74881668
1-[(5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-one
CID 167481102
1-(4-butoxypiperidin-1-yl)propan-1-one
CID 156794583

Frequently Asked Questions

What is the IUPAC name of 1-(2-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-one?
The IUPAC name of 1-(2-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-one (CID 155751712) is 1-(2-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-one.
What is the SMILES notation for 1-(2-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-one?
The canonical SMILES for 1-(2-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-one is CCCCN1CC2CN(C(=O)CC)CC2C1.
What is the InChIKey of 1-(2-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-one?
The InChIKey is HEXAQOKAOABHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-5-6-14-7-11-9-15(13(16)4-2)10-12(11)8-14/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-(2-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-one?
1-(2-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-one has a molecular weight of 224.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-one is sourced from PubChem (CID 155751712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).