4-methyl-5-(1-phenylpropan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C16H24N2 — CID 66212440

IUPAC4-methyl-5-(1-phenylpropan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC(Cc1ccccc1)N1CC2CNCC2C1C
InChIInChI=1S/C16H24N2/c1-12(8-14-6-4-3-5-7-14)18-11-15-9-17-10-16(15)13(18)2/h3-7,12-13,15-17H,8-11H2,1-2H3
InChIKeyBQQGTZNARAAYTE-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.16
Rot. Bonds3

About 4-methyl-5-(1-phenylpropan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

4-methyl-5-(1-phenylpropan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 66212440) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-methyl-5-(1-phenylpropan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4-methyl-5-(1-phenylpropan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID66212440
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name4-methyl-5-(1-phenylpropan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC(Cc1ccccc1)N1CC2CNCC2C1C
InChIInChI=1S/C16H24N2/c1-12(8-14-6-4-3-5-7-14)18-11-15-9-17-10-16(15)13(18)2/h3-7,12-13,15-17H,8-11H2,1-2H3
InChIKeyBQQGTZNARAAYTE-UHFFFAOYSA-N
XLogP2.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(1-phenylpropan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 4-methyl-5-(1-phenylpropan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 66212440) is 4-methyl-5-(1-phenylpropan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4-methyl-5-(1-phenylpropan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4-methyl-5-(1-phenylpropan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CC(Cc1ccccc1)N1CC2CNCC2C1C.
What is the InChIKey of 4-methyl-5-(1-phenylpropan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is BQQGTZNARAAYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12(8-14-6-4-3-5-7-14)18-11-15-9-17-10-16(15)13(18)2/h3-7,12-13,15-17H,8-11H2,1-2H3.
What are the key properties of 4-methyl-5-(1-phenylpropan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
4-methyl-5-(1-phenylpropan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 244.38 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(1-phenylpropan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66212440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).