5-(oxolan-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole

C10H18N2O — CID 77053461

IUPAC5-(oxolan-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
SMILESC1CC2CN(C3CCOC3)CC2N1
InChIInChI=1S/C10H18N2O/c1-3-11-10-6-12(5-8(1)10)9-2-4-13-7-9/h8-11H,1-7H2
InChIKeyCGIPXWNHCYEIIA-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.07
Rot. Bonds1

About 5-(oxolan-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole

5-(oxolan-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole (PubChem CID 77053461) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 5-(oxolan-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name5-(oxolan-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
PubChem CID77053461
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name5-(oxolan-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
SMILESC1CC2CN(C3CCOC3)CC2N1
InChIInChI=1S/C10H18N2O/c1-3-11-10-6-12(5-8(1)10)9-2-4-13-7-9/h8-11H,1-7H2
InChIKeyCGIPXWNHCYEIIA-UHFFFAOYSA-N
XLogP0.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole?
The IUPAC name of 5-(oxolan-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole (CID 77053461) is 5-(oxolan-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole.
What is the SMILES notation for 5-(oxolan-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole?
The canonical SMILES for 5-(oxolan-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole is C1CC2CN(C3CCOC3)CC2N1.
What is the InChIKey of 5-(oxolan-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole?
The InChIKey is CGIPXWNHCYEIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-11-10-6-12(5-8(1)10)9-2-4-13-7-9/h8-11H,1-7H2.
What are the key properties of 5-(oxolan-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole?
5-(oxolan-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole has a molecular weight of 182.27 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 77053461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).