1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole

C12H24N2 — CID 20641833

IUPAC1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESCC(C)N1CC2CCN(C(C)C)C2C1
InChIInChI=1S/C12H24N2/c1-9(2)13-7-11-5-6-14(10(3)4)12(11)8-13/h9-12H,5-8H2,1-4H3
InChIKeyJRMQNPLFSKYPOQ-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.81
Rot. Bonds2

About 1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole

1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (PubChem CID 20641833) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
PubChem CID20641833
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESCC(C)N1CC2CCN(C(C)C)C2C1
InChIInChI=1S/C12H24N2/c1-9(2)13-7-11-5-6-14(10(3)4)12(11)8-13/h9-12H,5-8H2,1-4H3
InChIKeyJRMQNPLFSKYPOQ-UHFFFAOYSA-N
XLogP1.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The IUPAC name of 1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (CID 20641833) is 1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole.
What is the SMILES notation for 1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The canonical SMILES for 1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is CC(C)N1CC2CCN(C(C)C)C2C1.
What is the InChIKey of 1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The InChIKey is JRMQNPLFSKYPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-9(2)13-7-11-5-6-14(10(3)4)12(11)8-13/h9-12H,5-8H2,1-4H3.
What are the key properties of 1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole has a molecular weight of 196.34 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 20641833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).