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

C9H18N2O — CID 60916037

IUPAC5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCOCCN1CC2CNCC2C1
InChIInChI=1S/C9H18N2O/c1-12-3-2-11-6-8-4-10-5-9(8)7-11/h8-10H,2-7H2,1H3
InChIKeyGRZUOWOGXRSXQO-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.22
Rot. Bonds3

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

5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 60916037) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID60916037
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCOCCN1CC2CNCC2C1
InChIInChI=1S/C9H18N2O/c1-12-3-2-11-6-8-4-10-5-9(8)7-11/h8-10H,2-7H2,1H3
InChIKeyGRZUOWOGXRSXQO-UHFFFAOYSA-N
XLogP-0.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 60916037) is 5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is COCCN1CC2CNCC2C1.
What is the InChIKey of 5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is GRZUOWOGXRSXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-12-3-2-11-6-8-4-10-5-9(8)7-11/h8-10H,2-7H2,1H3.
What are the key properties of 5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 170.26 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 60916037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).