1-(cyclopropylmethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole

C11H20N2 — CID 131208887

IUPAC1-(cyclopropylmethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole
SMILESCN1CC2CCN(CC3CC3)C2C1
InChIInChI=1S/C11H20N2/c1-12-7-10-4-5-13(11(10)8-12)6-9-2-3-9/h9-11H,2-8H2,1H3
InChIKeyMNGJSEPHKRQCPB-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.03
Rot. Bonds2

About 1-(cyclopropylmethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole

1-(cyclopropylmethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole (PubChem CID 131208887) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole
PubChem CID131208887
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-(cyclopropylmethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole
SMILESCN1CC2CCN(CC3CC3)C2C1
InChIInChI=1S/C11H20N2/c1-12-7-10-4-5-13(11(10)8-12)6-9-2-3-9/h9-11H,2-8H2,1H3
InChIKeyMNGJSEPHKRQCPB-UHFFFAOYSA-N
XLogP1.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole?
The IUPAC name of 1-(cyclopropylmethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole (CID 131208887) is 1-(cyclopropylmethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole?
The canonical SMILES for 1-(cyclopropylmethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole is CN1CC2CCN(CC3CC3)C2C1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole?
The InChIKey is MNGJSEPHKRQCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-12-7-10-4-5-13(11(10)8-12)6-9-2-3-9/h9-11H,2-8H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole?
1-(cyclopropylmethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole has a molecular weight of 180.29 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole is sourced from PubChem (CID 131208887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).