1-[2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)acetyl]pyrrolidin-2-one

C14H23N3O2 — CID 66244849

IUPAC1-[2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)acetyl]pyrrolidin-2-one
SMILESCC1(C)C2CNCC2CN1CC(=O)N1CCCC1=O
InChIInChI=1S/C14H23N3O2/c1-14(2)11-7-15-6-10(11)8-16(14)9-13(19)17-5-3-4-12(17)18/h10-11,15H,3-9H2,1-2H3
InChIKeyKSTSOYWNXNRXQG-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.07
Rot. Bonds2

About 1-[2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)acetyl]pyrrolidin-2-one

1-[2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)acetyl]pyrrolidin-2-one (PubChem CID 66244849) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)acetyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)acetyl]pyrrolidin-2-one
PubChem CID66244849
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)acetyl]pyrrolidin-2-one
SMILESCC1(C)C2CNCC2CN1CC(=O)N1CCCC1=O
InChIInChI=1S/C14H23N3O2/c1-14(2)11-7-15-6-10(11)8-16(14)9-13(19)17-5-3-4-12(17)18/h10-11,15H,3-9H2,1-2H3
InChIKeyKSTSOYWNXNRXQG-UHFFFAOYSA-N
XLogP0.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)acetyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)acetyl]pyrrolidin-2-one (CID 66244849) is 1-[2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)acetyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)acetyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)acetyl]pyrrolidin-2-one is CC1(C)C2CNCC2CN1CC(=O)N1CCCC1=O.
What is the InChIKey of 1-[2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)acetyl]pyrrolidin-2-one?
The InChIKey is KSTSOYWNXNRXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2)11-7-15-6-10(11)8-16(14)9-13(19)17-5-3-4-12(17)18/h10-11,15H,3-9H2,1-2H3.
What are the key properties of 1-[2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)acetyl]pyrrolidin-2-one?
1-[2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)acetyl]pyrrolidin-2-one has a molecular weight of 265.36 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)acetyl]pyrrolidin-2-one is sourced from PubChem (CID 66244849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).