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

C10H20N2 — CID 58547290

IUPAC(3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC(C)N1C[C@H]2CN(C)C[C@H]2C1
InChIInChI=1S/C10H20N2/c1-8(2)12-6-9-4-11(3)5-10(9)7-12/h8-10H,4-7H2,1-3H3/t9-,10+
InChIKeyZCVIBWAOKXTTQC-AOOOYVTPSA-N
MW168.28 g/mol
LogP0.89
Rot. Bonds1

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

(3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 58547290) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID58547290
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC(C)N1C[C@H]2CN(C)C[C@H]2C1
InChIInChI=1S/C10H20N2/c1-8(2)12-6-9-4-11(3)5-10(9)7-12/h8-10H,4-7H2,1-3H3/t9-,10+
InChIKeyZCVIBWAOKXTTQC-AOOOYVTPSA-N
XLogP0.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of (3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 58547290) is (3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for (3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for (3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CC(C)N1C[C@H]2CN(C)C[C@H]2C1.
What is the InChIKey of (3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is ZCVIBWAOKXTTQC-AOOOYVTPSA-N. The full InChI is InChI=1S/C10H20N2/c1-8(2)12-6-9-4-11(3)5-10(9)7-12/h8-10H,4-7H2,1-3H3/t9-,10+.
What are the key properties of (3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
(3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 168.28 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 58547290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).