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

C20H24N2 — CID 24743745

IUPAC(3aR,6aR)-1-(4-benzylphenyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESCN1C[C@H]2CCN(c3ccc(Cc4ccccc4)cc3)[C@H]2C1
InChIInChI=1S/C20H24N2/c1-21-14-18-11-12-22(20(18)15-21)19-9-7-17(8-10-19)13-16-5-3-2-4-6-16/h2-10,18,20H,11-15H2,1H3/t18-,20+/m1/s1
InChIKeyRSDBWOAXNDPNNE-QUCCMNQESA-N
MW292.43 g/mol
LogP3.42
Rot. Bonds3

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

(3aR,6aR)-1-(4-benzylphenyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (PubChem CID 24743745) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is (3aR,6aR)-1-(4-benzylphenyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name(3aR,6aR)-1-(4-benzylphenyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
PubChem CID24743745
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name(3aR,6aR)-1-(4-benzylphenyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESCN1C[C@H]2CCN(c3ccc(Cc4ccccc4)cc3)[C@H]2C1
InChIInChI=1S/C20H24N2/c1-21-14-18-11-12-22(20(18)15-21)19-9-7-17(8-10-19)13-16-5-3-2-4-6-16/h2-10,18,20H,11-15H2,1H3/t18-,20+/m1/s1
InChIKeyRSDBWOAXNDPNNE-QUCCMNQESA-N
XLogP3.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-1-(4-benzylphenyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The IUPAC name of (3aR,6aR)-1-(4-benzylphenyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (CID 24743745) is (3aR,6aR)-1-(4-benzylphenyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole.
What is the SMILES notation for (3aR,6aR)-1-(4-benzylphenyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The canonical SMILES for (3aR,6aR)-1-(4-benzylphenyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is CN1C[C@H]2CCN(c3ccc(Cc4ccccc4)cc3)[C@H]2C1.
What is the InChIKey of (3aR,6aR)-1-(4-benzylphenyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The InChIKey is RSDBWOAXNDPNNE-QUCCMNQESA-N. The full InChI is InChI=1S/C20H24N2/c1-21-14-18-11-12-22(20(18)15-21)19-9-7-17(8-10-19)13-16-5-3-2-4-6-16/h2-10,18,20H,11-15H2,1H3/t18-,20+/m1/s1.
What are the key properties of (3aR,6aR)-1-(4-benzylphenyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
(3aR,6aR)-1-(4-benzylphenyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole has a molecular weight of 292.43 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-1-(4-benzylphenyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 24743745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).