2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl-(4-methyl-1,3-oxazol-5-yl)methanone

C11H15N3O2 — CID 68601628

IUPAC2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1CC2CCNC2C1
InChIInChI=1S/C11H15N3O2/c1-7-10(16-6-13-7)11(15)14-4-8-2-3-12-9(8)5-14/h6,8-9,12H,2-5H2,1H3
InChIKeyGVKUYUQOBHSKQU-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.42
Rot. Bonds1

About 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl-(4-methyl-1,3-oxazol-5-yl)methanone

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl-(4-methyl-1,3-oxazol-5-yl)methanone (PubChem CID 68601628) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl-(4-methyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl-(4-methyl-1,3-oxazol-5-yl)methanone
PubChem CID68601628
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1CC2CCNC2C1
InChIInChI=1S/C11H15N3O2/c1-7-10(16-6-13-7)11(15)14-4-8-2-3-12-9(8)5-14/h6,8-9,12H,2-5H2,1H3
InChIKeyGVKUYUQOBHSKQU-UHFFFAOYSA-N
XLogP0.42
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl-(4-methyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl-(4-methyl-1,3-oxazol-5-yl)methanone (CID 68601628) is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl-(4-methyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl-(4-methyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl-(4-methyl-1,3-oxazol-5-yl)methanone is Cc1ncoc1C(=O)N1CC2CCNC2C1.
What is the InChIKey of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl-(4-methyl-1,3-oxazol-5-yl)methanone?
The InChIKey is GVKUYUQOBHSKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-10(16-6-13-7)11(15)14-4-8-2-3-12-9(8)5-14/h6,8-9,12H,2-5H2,1H3.
What are the key properties of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl-(4-methyl-1,3-oxazol-5-yl)methanone?
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl-(4-methyl-1,3-oxazol-5-yl)methanone has a molecular weight of 221.26 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl-(4-methyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 68601628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).