1-[2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]pyridin-2-one

C15H23N3O — CID 82907258

IUPAC1-[2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]pyridin-2-one
SMILESCCC1C2CNCC2CN1CCn1ccccc1=O
InChIInChI=1S/C15H23N3O/c1-2-14-13-10-16-9-12(13)11-18(14)8-7-17-6-4-3-5-15(17)19/h3-6,12-14,16H,2,7-11H2,1H3
InChIKeyFFXZPXBQYYMDPC-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.78
Rot. Bonds4

About 1-[2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]pyridin-2-one

1-[2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]pyridin-2-one (PubChem CID 82907258) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]pyridin-2-one
PubChem CID82907258
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]pyridin-2-one
SMILESCCC1C2CNCC2CN1CCn1ccccc1=O
InChIInChI=1S/C15H23N3O/c1-2-14-13-10-16-9-12(13)11-18(14)8-7-17-6-4-3-5-15(17)19/h3-6,12-14,16H,2,7-11H2,1H3
InChIKeyFFXZPXBQYYMDPC-UHFFFAOYSA-N
XLogP0.78
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]pyridin-2-one (CID 82907258) is 1-[2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]pyridin-2-one is CCC1C2CNCC2CN1CCn1ccccc1=O.
What is the InChIKey of 1-[2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]pyridin-2-one?
The InChIKey is FFXZPXBQYYMDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-14-13-10-16-9-12(13)11-18(14)8-7-17-6-4-3-5-15(17)19/h3-6,12-14,16H,2,7-11H2,1H3.
What are the key properties of 1-[2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]pyridin-2-one?
1-[2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]pyridin-2-one has a molecular weight of 261.37 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 82907258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).