3-cyclopropyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C10H18N2 — CID 121205235

IUPAC3-cyclopropyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCN1CC2CNC(C3CC3)C2C1
InChIInChI=1S/C10H18N2/c1-12-5-8-4-11-10(7-2-3-7)9(8)6-12/h7-11H,2-6H2,1H3
InChIKeyFWRSTGRMPFZISP-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.55
Rot. Bonds1

About 3-cyclopropyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

3-cyclopropyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 121205235) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-cyclopropyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name3-cyclopropyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID121205235
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-cyclopropyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCN1CC2CNC(C3CC3)C2C1
InChIInChI=1S/C10H18N2/c1-12-5-8-4-11-10(7-2-3-7)9(8)6-12/h7-11H,2-6H2,1H3
InChIKeyFWRSTGRMPFZISP-UHFFFAOYSA-N
XLogP0.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 3-cyclopropyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 121205235) is 3-cyclopropyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 3-cyclopropyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 3-cyclopropyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CN1CC2CNC(C3CC3)C2C1.
What is the InChIKey of 3-cyclopropyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is FWRSTGRMPFZISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-12-5-8-4-11-10(7-2-3-7)9(8)6-12/h7-11H,2-6H2,1H3.
What are the key properties of 3-cyclopropyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
3-cyclopropyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 166.27 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 121205235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).