1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)imidazolidin-2-one

C11H17N3O2 — CID 121184114

IUPAC1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)imidazolidin-2-one
SMILESO=C1NCCN1C(=O)N1CC2CCCC2C1
InChIInChI=1S/C11H17N3O2/c15-10-12-4-5-14(10)11(16)13-6-8-2-1-3-9(8)7-13/h8-9H,1-7H2,(H,12,15)
InChIKeySZDFHIGXNPDBAC-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.86
Rot. Bonds

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

1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)imidazolidin-2-one (PubChem CID 121184114) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)imidazolidin-2-one
PubChem CID121184114
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)imidazolidin-2-one
SMILESO=C1NCCN1C(=O)N1CC2CCCC2C1
InChIInChI=1S/C11H17N3O2/c15-10-12-4-5-14(10)11(16)13-6-8-2-1-3-9(8)7-13/h8-9H,1-7H2,(H,12,15)
InChIKeySZDFHIGXNPDBAC-UHFFFAOYSA-N
XLogP0.86
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)imidazolidin-2-one?
The IUPAC name of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)imidazolidin-2-one (CID 121184114) is 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)imidazolidin-2-one.
What is the SMILES notation for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)imidazolidin-2-one?
The canonical SMILES for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)imidazolidin-2-one is O=C1NCCN1C(=O)N1CC2CCCC2C1.
What is the InChIKey of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)imidazolidin-2-one?
The InChIKey is SZDFHIGXNPDBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-10-12-4-5-14(10)11(16)13-6-8-2-1-3-9(8)7-13/h8-9H,1-7H2,(H,12,15).
What are the key properties of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)imidazolidin-2-one?
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)imidazolidin-2-one has a molecular weight of 223.28 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)imidazolidin-2-one is sourced from PubChem (CID 121184114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).