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

C10H13N3O2 — CID 24945126

IUPAC2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1,3-oxazol-5-yl)methanone
SMILESO=C(c1cnco1)N1CC2CNCC2C1
InChIInChI=1S/C10H13N3O2/c14-10(9-3-12-6-15-9)13-4-7-1-11-2-8(7)5-13/h3,6-8,11H,1-2,4-5H2
InChIKeyCRHHYTWGPWXCHF-UHFFFAOYSA-N
MW207.23 g/mol
LogP-0.03
Rot. Bonds1

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

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1,3-oxazol-5-yl)methanone (PubChem CID 24945126) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1,3-oxazol-5-yl)methanone
PubChem CID24945126
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1,3-oxazol-5-yl)methanone
SMILESO=C(c1cnco1)N1CC2CNCC2C1
InChIInChI=1S/C10H13N3O2/c14-10(9-3-12-6-15-9)13-4-7-1-11-2-8(7)5-13/h3,6-8,11H,1-2,4-5H2
InChIKeyCRHHYTWGPWXCHF-UHFFFAOYSA-N
XLogP-0.03
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.03
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[3,4-c]pyrrol-5-yl(1,3-oxazol-5-yl)methanone?
The IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1,3-oxazol-5-yl)methanone (CID 24945126) is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1,3-oxazol-5-yl)methanone.
What is the SMILES notation for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1,3-oxazol-5-yl)methanone?
The canonical SMILES for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1,3-oxazol-5-yl)methanone is O=C(c1cnco1)N1CC2CNCC2C1.
What is the InChIKey of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1,3-oxazol-5-yl)methanone?
The InChIKey is CRHHYTWGPWXCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-10(9-3-12-6-15-9)13-4-7-1-11-2-8(7)5-13/h3,6-8,11H,1-2,4-5H2.
What are the key properties of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1,3-oxazol-5-yl)methanone?
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1,3-oxazol-5-yl)methanone has a molecular weight of 207.23 g/mol, XLogP of -0.03, 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[3,4-c]pyrrol-5-yl(1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 24945126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).