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

C11H20N2 — CID 66213526

IUPAC5-(1-cyclopropylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC(C1CC1)N1CC2CNCC2C1
InChIInChI=1S/C11H20N2/c1-8(9-2-3-9)13-6-10-4-12-5-11(10)7-13/h8-12H,2-7H2,1H3
InChIKeyUYVNBXSACDXMBZ-UHFFFAOYSA-N
MW180.29 g/mol
LogP0.94
Rot. Bonds2

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

5-(1-cyclopropylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 66213526) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 5-(1-cyclopropylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(1-cyclopropylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID66213526
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name5-(1-cyclopropylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC(C1CC1)N1CC2CNCC2C1
InChIInChI=1S/C11H20N2/c1-8(9-2-3-9)13-6-10-4-12-5-11(10)7-13/h8-12H,2-7H2,1H3
InChIKeyUYVNBXSACDXMBZ-UHFFFAOYSA-N
XLogP0.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(1-cyclopropylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 66213526) is 5-(1-cyclopropylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(1-cyclopropylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(1-cyclopropylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CC(C1CC1)N1CC2CNCC2C1.
What is the InChIKey of 5-(1-cyclopropylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is UYVNBXSACDXMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-8(9-2-3-9)13-6-10-4-12-5-11(10)7-13/h8-12H,2-7H2,1H3.
What are the key properties of 5-(1-cyclopropylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-(1-cyclopropylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 180.29 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66213526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).