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

C13H24N4O — CID 66207390

IUPAC1-[2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]imidazolidin-2-one
SMILESCCC1C2CNCC2CN1CCN1CCNC1=O
InChIInChI=1S/C13H24N4O/c1-2-12-11-8-14-7-10(11)9-17(12)6-5-16-4-3-15-13(16)18/h10-12,14H,2-9H2,1H3,(H,15,18)
InChIKeyOXPOOHHHCBPTGV-UHFFFAOYSA-N
MW252.36 g/mol
LogP-0.06
Rot. Bonds4

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

1-[2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]imidazolidin-2-one (PubChem CID 66207390) has the molecular formula C13H24N4O and a molecular weight of 252.36 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]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)ethyl]imidazolidin-2-one
PubChem CID66207390
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-[2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]imidazolidin-2-one
SMILESCCC1C2CNCC2CN1CCN1CCNC1=O
InChIInChI=1S/C13H24N4O/c1-2-12-11-8-14-7-10(11)9-17(12)6-5-16-4-3-15-13(16)18/h10-12,14H,2-9H2,1H3,(H,15,18)
InChIKeyOXPOOHHHCBPTGV-UHFFFAOYSA-N
XLogP-0.06
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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]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)ethyl]imidazolidin-2-one (CID 66207390) is 1-[2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]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)ethyl]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)ethyl]imidazolidin-2-one is CCC1C2CNCC2CN1CCN1CCNC1=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]imidazolidin-2-one?
The InChIKey is OXPOOHHHCBPTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-2-12-11-8-14-7-10(11)9-17(12)6-5-16-4-3-15-13(16)18/h10-12,14H,2-9H2,1H3,(H,15,18).
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]imidazolidin-2-one?
1-[2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]imidazolidin-2-one has a molecular weight of 252.36 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 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]imidazolidin-2-one is sourced from PubChem (CID 66207390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).