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

C18H22N2 — CID 66211652

IUPAC4-methyl-5-(naphthalen-1-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1C2CNCC2CN1Cc1cccc2ccccc12
InChIInChI=1S/C18H22N2/c1-13-18-10-19-9-16(18)12-20(13)11-15-7-4-6-14-5-2-3-8-17(14)15/h2-8,13,16,18-19H,9-12H2,1H3
InChIKeyCVASPJVYYRPSKY-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.88
Rot. Bonds2

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

4-methyl-5-(naphthalen-1-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 66211652) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-methyl-5-(naphthalen-1-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4-methyl-5-(naphthalen-1-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID66211652
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name4-methyl-5-(naphthalen-1-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1C2CNCC2CN1Cc1cccc2ccccc12
InChIInChI=1S/C18H22N2/c1-13-18-10-19-9-16(18)12-20(13)11-15-7-4-6-14-5-2-3-8-17(14)15/h2-8,13,16,18-19H,9-12H2,1H3
InChIKeyCVASPJVYYRPSKY-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(naphthalen-1-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 4-methyl-5-(naphthalen-1-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 66211652) is 4-methyl-5-(naphthalen-1-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4-methyl-5-(naphthalen-1-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4-methyl-5-(naphthalen-1-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CC1C2CNCC2CN1Cc1cccc2ccccc12.
What is the InChIKey of 4-methyl-5-(naphthalen-1-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is CVASPJVYYRPSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-13-18-10-19-9-16(18)12-20(13)11-15-7-4-6-14-5-2-3-8-17(14)15/h2-8,13,16,18-19H,9-12H2,1H3.
What are the key properties of 4-methyl-5-(naphthalen-1-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
4-methyl-5-(naphthalen-1-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 266.39 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(naphthalen-1-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66211652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).