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

C9H18N2O — CID 90992878

IUPAC3a-(ethoxymethyl)-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCOCC12CNCC1CNC2
InChIInChI=1S/C9H18N2O/c1-2-12-7-9-5-10-3-8(9)4-11-6-9/h8,10-11H,2-7H2,1H3
InChIKeyLTOSNEKSRPWPQB-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.17
Rot. Bonds3

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

3a-(ethoxymethyl)-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 90992878) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3a-(ethoxymethyl)-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name3a-(ethoxymethyl)-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID90992878
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3a-(ethoxymethyl)-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCOCC12CNCC1CNC2
InChIInChI=1S/C9H18N2O/c1-2-12-7-9-5-10-3-8(9)4-11-6-9/h8,10-11H,2-7H2,1H3
InChIKeyLTOSNEKSRPWPQB-UHFFFAOYSA-N
XLogP-0.17
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3a-(ethoxymethyl)-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 3a-(ethoxymethyl)-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 90992878) is 3a-(ethoxymethyl)-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 3a-(ethoxymethyl)-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 3a-(ethoxymethyl)-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CCOCC12CNCC1CNC2.
What is the InChIKey of 3a-(ethoxymethyl)-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is LTOSNEKSRPWPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-12-7-9-5-10-3-8(9)4-11-6-9/h8,10-11H,2-7H2,1H3.
What are the key properties of 3a-(ethoxymethyl)-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
3a-(ethoxymethyl)-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 170.26 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-(ethoxymethyl)-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 90992878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).