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

C14H19N3O — CID 107148490

IUPAC1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(3-methyl-2-pyridinyl)ethanone
SMILESCc1cccnc1CC(=O)N1CC2CNCC2C1
InChIInChI=1S/C14H19N3O/c1-10-3-2-4-16-13(10)5-14(18)17-8-11-6-15-7-12(11)9-17/h2-4,11-12,15H,5-9H2,1H3
InChIKeyOSMHROQMVCSQDD-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.61
Rot. Bonds2

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

1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(3-methyl-2-pyridinyl)ethanone (PubChem CID 107148490) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(3-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(3-methyl-2-pyridinyl)ethanone
PubChem CID107148490
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(3-methyl-2-pyridinyl)ethanone
SMILESCc1cccnc1CC(=O)N1CC2CNCC2C1
InChIInChI=1S/C14H19N3O/c1-10-3-2-4-16-13(10)5-14(18)17-8-11-6-15-7-12(11)9-17/h2-4,11-12,15H,5-9H2,1H3
InChIKeyOSMHROQMVCSQDD-UHFFFAOYSA-N
XLogP0.61
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-(3-methyl-2-pyridinyl)-1-piperazin-1-ylethanone
CID 107147060
(3aR,6aS)-5-[(3-methyl-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660794
1-(1,4-diazepan-1-yl)-2-(3-methyl-2-pyridinyl)ethanone
CID 107147061
1-[(3S,3aS,6aS)-2-methyl-3-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(3-methyl-2-pyridinyl)ethanone;dihydrochloride
CID 171330101
2-(3-methyl-2-pyridinyl)-N-[(3S)-piperidin-3-yl]acetamide
CID 107148570
1-[2-(3-methyl-2-pyridinyl)acetyl]piperidine-3-carboxylic acid
CID 107147077
N-ethyl-1-[2-(3-methyl-2-pyridinyl)acetyl]piperazine-2-carboxamide
CID 107148474
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(4-butylphenyl)ethanone
CID 120657773
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-hydroxyphenyl)ethanone
CID 66211397
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-bromophenyl)ethanone
CID 66212767
2-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylethanone
CID 114552859
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-methoxyphenyl)ethanone
CID 66213547

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(3-methyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(3-methyl-2-pyridinyl)ethanone (CID 107148490) is 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(3-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(3-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(3-methyl-2-pyridinyl)ethanone is Cc1cccnc1CC(=O)N1CC2CNCC2C1.
What is the InChIKey of 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(3-methyl-2-pyridinyl)ethanone?
The InChIKey is OSMHROQMVCSQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-3-2-4-16-13(10)5-14(18)17-8-11-6-15-7-12(11)9-17/h2-4,11-12,15H,5-9H2,1H3.
What are the key properties of 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(3-methyl-2-pyridinyl)ethanone?
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(3-methyl-2-pyridinyl)ethanone has a molecular weight of 245.33 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(3-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 107148490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).