5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)pyrrolidin-2-one

C13H21N3O2 — CID 66208703

IUPAC5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)pyrrolidin-2-one
SMILESCCC1C2CNCC2CN1C(=O)C1CCC(=O)N1
InChIInChI=1S/C13H21N3O2/c1-2-11-9-6-14-5-8(9)7-16(11)13(18)10-3-4-12(17)15-10/h8-11,14H,2-7H2,1H3,(H,15,17)
InChIKeyAHFSAEINNCYGSA-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.28
Rot. Bonds2

About 5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)pyrrolidin-2-one

5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)pyrrolidin-2-one (PubChem CID 66208703) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)pyrrolidin-2-one
PubChem CID66208703
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)pyrrolidin-2-one
SMILESCCC1C2CNCC2CN1C(=O)C1CCC(=O)N1
InChIInChI=1S/C13H21N3O2/c1-2-11-9-6-14-5-8(9)7-16(11)13(18)10-3-4-12(17)15-10/h8-11,14H,2-7H2,1H3,(H,15,17)
InChIKeyAHFSAEINNCYGSA-UHFFFAOYSA-N
XLogP-0.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)pyrrolidin-2-one?
The IUPAC name of 5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)pyrrolidin-2-one (CID 66208703) is 5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)pyrrolidin-2-one is CCC1C2CNCC2CN1C(=O)C1CCC(=O)N1.
What is the InChIKey of 5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)pyrrolidin-2-one?
The InChIKey is AHFSAEINNCYGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-11-9-6-14-5-8(9)7-16(11)13(18)10-3-4-12(17)15-10/h8-11,14H,2-7H2,1H3,(H,15,17).
What are the key properties of 5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)pyrrolidin-2-one?
5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)pyrrolidin-2-one has a molecular weight of 251.33 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 66208703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).