1-spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,3'-pyrrolidine]-1'-ylbutan-1-one

C13H19N3O — CID 131672176

IUPAC1-spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,3'-pyrrolidine]-1'-ylbutan-1-one
SMILESCCCC(=O)N1CCC2(Cc3nccn3C2)C1
InChIInChI=1S/C13H19N3O/c1-2-3-12(17)16-6-4-13(10-16)8-11-14-5-7-15(11)9-13/h5,7H,2-4,6,8-10H2,1H3
InChIKeyINOCSCAGHXXKSA-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.46
Rot. Bonds2

About 1-spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,3'-pyrrolidine]-1'-ylbutan-1-one

1-spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,3'-pyrrolidine]-1'-ylbutan-1-one (PubChem CID 131672176) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,3'-pyrrolidine]-1'-ylbutan-1-one.

Molecular Properties

Compound Name1-spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,3'-pyrrolidine]-1'-ylbutan-1-one
PubChem CID131672176
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,3'-pyrrolidine]-1'-ylbutan-1-one
SMILESCCCC(=O)N1CCC2(Cc3nccn3C2)C1
InChIInChI=1S/C13H19N3O/c1-2-3-12(17)16-6-4-13(10-16)8-11-14-5-7-15(11)9-13/h5,7H,2-4,6,8-10H2,1H3
InChIKeyINOCSCAGHXXKSA-UHFFFAOYSA-N
XLogP1.46
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-butanoyl-6-azaspiro[3.4]octan-2-one
CID 130352650
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CID 123381953
1-(5-azaspiro[2.5]octan-5-yl)butan-1-one
CID 130890888
1-[8-benzyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one
CID 118666001
1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]butan-1-one
CID 118661979
(3R)-1-butanoyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92586217
1-[3-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]butan-1-one
CID 155558238
1-[1'-(pyridin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]butan-1-one
CID 134787226
1-butanoyl-N,N-dimethyl-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229625
1-butanoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240994
1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-phenoxypropan-1-one
CID 112534348
7,7-diethyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine
CID 164902334

Frequently Asked Questions

What is the IUPAC name of 1-spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,3'-pyrrolidine]-1'-ylbutan-1-one?
The IUPAC name of 1-spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,3'-pyrrolidine]-1'-ylbutan-1-one (CID 131672176) is 1-spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,3'-pyrrolidine]-1'-ylbutan-1-one.
What is the SMILES notation for 1-spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,3'-pyrrolidine]-1'-ylbutan-1-one?
The canonical SMILES for 1-spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,3'-pyrrolidine]-1'-ylbutan-1-one is CCCC(=O)N1CCC2(Cc3nccn3C2)C1.
What is the InChIKey of 1-spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,3'-pyrrolidine]-1'-ylbutan-1-one?
The InChIKey is INOCSCAGHXXKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-3-12(17)16-6-4-13(10-16)8-11-14-5-7-15(11)9-13/h5,7H,2-4,6,8-10H2,1H3.
What are the key properties of 1-spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,3'-pyrrolidine]-1'-ylbutan-1-one?
1-spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,3'-pyrrolidine]-1'-ylbutan-1-one has a molecular weight of 233.31 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,3'-pyrrolidine]-1'-ylbutan-1-one is sourced from PubChem (CID 131672176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).