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

C13H22N4O2 — CID 66208742

IUPAC1-[2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetyl]imidazolidin-2-one
SMILESCCC1C2CNCC2CN1CC(=O)N1CCNC1=O
InChIInChI=1S/C13H22N4O2/c1-2-11-10-6-14-5-9(10)7-16(11)8-12(18)17-4-3-15-13(17)19/h9-11,14H,2-8H2,1H3,(H,15,19)
InChIKeyPLUQLZCHKHLFLO-UHFFFAOYSA-N
MW266.34 g/mol
LogP-0.53
Rot. Bonds3

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

1-[2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetyl]imidazolidin-2-one (PubChem CID 66208742) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 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)acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetyl]imidazolidin-2-one
PubChem CID66208742
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-[2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetyl]imidazolidin-2-one
SMILESCCC1C2CNCC2CN1CC(=O)N1CCNC1=O
InChIInChI=1S/C13H22N4O2/c1-2-11-10-6-14-5-9(10)7-16(11)8-12(18)17-4-3-15-13(17)19/h9-11,14H,2-8H2,1H3,(H,15,19)
InChIKeyPLUQLZCHKHLFLO-UHFFFAOYSA-N
XLogP-0.53
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
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)acetyl]imidazolidin-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)acetyl]imidazolidin-2-one (CID 66208742) is 1-[2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetyl]imidazolidin-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)acetyl]imidazolidin-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)acetyl]imidazolidin-2-one is CCC1C2CNCC2CN1CC(=O)N1CCNC1=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)acetyl]imidazolidin-2-one?
The InChIKey is PLUQLZCHKHLFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-2-11-10-6-14-5-9(10)7-16(11)8-12(18)17-4-3-15-13(17)19/h9-11,14H,2-8H2,1H3,(H,15,19).
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)acetyl]imidazolidin-2-one?
1-[2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetyl]imidazolidin-2-one has a molecular weight of 266.34 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 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)acetyl]imidazolidin-2-one is sourced from PubChem (CID 66208742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).