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

C19H24N2O2 — CID 155345531

IUPAC5-(3,6-dimethoxynaphthalen-2-yl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCOc1ccc2cc(N3CC4CN(C)CC4C3)c(OC)cc2c1
InChIInChI=1S/C19H24N2O2/c1-20-9-15-11-21(12-16(15)10-20)18-7-13-4-5-17(22-2)6-14(13)8-19(18)23-3/h4-8,15-16H,9-12H2,1-3H3
InChIKeyWJKRPFSGACMFDZ-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.85
Rot. Bonds3

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

5-(3,6-dimethoxynaphthalen-2-yl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 155345531) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 5-(3,6-dimethoxynaphthalen-2-yl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(3,6-dimethoxynaphthalen-2-yl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID155345531
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name5-(3,6-dimethoxynaphthalen-2-yl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCOc1ccc2cc(N3CC4CN(C)CC4C3)c(OC)cc2c1
InChIInChI=1S/C19H24N2O2/c1-20-9-15-11-21(12-16(15)10-20)18-7-13-4-5-17(22-2)6-14(13)8-19(18)23-3/h4-8,15-16H,9-12H2,1-3H3
InChIKeyWJKRPFSGACMFDZ-UHFFFAOYSA-N
XLogP2.85
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dimethoxy-2-propan-2-ylnaphthalene
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(3aS,6aR)-5-(2-bromo-5-methoxy-4-nitrophenyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 167322894
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CID 141001034
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CID 11437978
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3-cyclopropyl-1-(2,5-dimethoxyphenyl)piperazine
CID 64925366
3-cyclopropyl-1-(2,4-dimethoxyphenyl)piperazine
CID 64924196
[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 155873161

Frequently Asked Questions

What is the IUPAC name of 5-(3,6-dimethoxynaphthalen-2-yl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(3,6-dimethoxynaphthalen-2-yl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 155345531) is 5-(3,6-dimethoxynaphthalen-2-yl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(3,6-dimethoxynaphthalen-2-yl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(3,6-dimethoxynaphthalen-2-yl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is COc1ccc2cc(N3CC4CN(C)CC4C3)c(OC)cc2c1.
What is the InChIKey of 5-(3,6-dimethoxynaphthalen-2-yl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is WJKRPFSGACMFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-20-9-15-11-21(12-16(15)10-20)18-7-13-4-5-17(22-2)6-14(13)8-19(18)23-3/h4-8,15-16H,9-12H2,1-3H3.
What are the key properties of 5-(3,6-dimethoxynaphthalen-2-yl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
5-(3,6-dimethoxynaphthalen-2-yl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 312.41 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,6-dimethoxynaphthalen-2-yl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 155345531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).