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

C17H26N2 — CID 66209948

IUPAC5-[(2-ethylphenyl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCCc1ccccc1CN1CC2CNCC2C1(C)C
InChIInChI=1S/C17H26N2/c1-4-13-7-5-6-8-14(13)11-19-12-15-9-18-10-16(15)17(19,2)3/h5-8,15-16,18H,4,9-12H2,1-3H3
InChIKeyUEYDFRALRIUMAK-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.68
Rot. Bonds3

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

5-[(2-ethylphenyl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 66209948) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 5-[(2-ethylphenyl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-[(2-ethylphenyl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID66209948
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name5-[(2-ethylphenyl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCCc1ccccc1CN1CC2CNCC2C1(C)C
InChIInChI=1S/C17H26N2/c1-4-13-7-5-6-8-14(13)11-19-12-15-9-18-10-16(15)17(19,2)3/h5-8,15-16,18H,4,9-12H2,1-3H3
InChIKeyUEYDFRALRIUMAK-UHFFFAOYSA-N
XLogP2.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]quinoline
CID 66209739
5-[(5-ethylfuran-2-yl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66242300
4,4-dimethyl-5-[2-(2-nitrophenyl)ethyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66242957
3-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]pyridine-2-carbonitrile
CID 66243804
4,4-dimethyl-5-[(3-nitrophenyl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66208783
2-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-methoxyphenol
CID 66241881
4,4-dimethyl-5-(2-phenylpropyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66244366
4,4-dimethyl-5-[(1-methylpyrazol-3-yl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 82870404
4,4-dimethyl-5-(pyrimidin-4-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66242717
3-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-4-fluorobenzonitrile
CID 66242758
5-bromo-3-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1H-indole
CID 66243530
4,4-dimethyl-5-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66244229

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylphenyl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-[(2-ethylphenyl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 66209948) is 5-[(2-ethylphenyl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-[(2-ethylphenyl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-[(2-ethylphenyl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CCc1ccccc1CN1CC2CNCC2C1(C)C.
What is the InChIKey of 5-[(2-ethylphenyl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is UEYDFRALRIUMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-4-13-7-5-6-8-14(13)11-19-12-15-9-18-10-16(15)17(19,2)3/h5-8,15-16,18H,4,9-12H2,1-3H3.
What are the key properties of 5-[(2-ethylphenyl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
5-[(2-ethylphenyl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 258.41 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylphenyl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66209948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).