4,4-dimethyl-5-(2-propan-2-yloxan-4-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C16H30N2O — CID 66209935

IUPAC4,4-dimethyl-5-(2-propan-2-yloxan-4-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC(C)C1CC(N2CC3CNCC3C2(C)C)CCO1
InChIInChI=1S/C16H30N2O/c1-11(2)15-7-13(5-6-19-15)18-10-12-8-17-9-14(12)16(18,3)4/h11-15,17H,5-10H2,1-4H3
InChIKeyOEPDOSFVYSDITB-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.12
Rot. Bonds2

About 4,4-dimethyl-5-(2-propan-2-yloxan-4-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole

4,4-dimethyl-5-(2-propan-2-yloxan-4-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 66209935) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 4,4-dimethyl-5-(2-propan-2-yloxan-4-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4,4-dimethyl-5-(2-propan-2-yloxan-4-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID66209935
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name4,4-dimethyl-5-(2-propan-2-yloxan-4-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC(C)C1CC(N2CC3CNCC3C2(C)C)CCO1
InChIInChI=1S/C16H30N2O/c1-11(2)15-7-13(5-6-19-15)18-10-12-8-17-9-14(12)16(18,3)4/h11-15,17H,5-10H2,1-4H3
InChIKeyOEPDOSFVYSDITB-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-(2-propan-2-yloxan-4-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 4,4-dimethyl-5-(2-propan-2-yloxan-4-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 66209935) is 4,4-dimethyl-5-(2-propan-2-yloxan-4-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4,4-dimethyl-5-(2-propan-2-yloxan-4-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4,4-dimethyl-5-(2-propan-2-yloxan-4-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CC(C)C1CC(N2CC3CNCC3C2(C)C)CCO1.
What is the InChIKey of 4,4-dimethyl-5-(2-propan-2-yloxan-4-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is OEPDOSFVYSDITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-11(2)15-7-13(5-6-19-15)18-10-12-8-17-9-14(12)16(18,3)4/h11-15,17H,5-10H2,1-4H3.
What are the key properties of 4,4-dimethyl-5-(2-propan-2-yloxan-4-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
4,4-dimethyl-5-(2-propan-2-yloxan-4-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 266.43 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-(2-propan-2-yloxan-4-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66209935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).