5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C15H20N2 — CID 66418763

IUPAC5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESc1ccc2c(c1)CC2CN1CC2CNCC2C1
InChIInChI=1S/C15H20N2/c1-2-4-15-11(3-1)5-12(15)8-17-9-13-6-16-7-14(13)10-17/h1-4,12-14,16H,5-10H2
InChIKeyGUXLWIUWISZRMI-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.48
Rot. Bonds2

About 5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 66418763) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID66418763
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESc1ccc2c(c1)CC2CN1CC2CNCC2C1
InChIInChI=1S/C15H20N2/c1-2-4-15-11(3-1)5-12(15)8-17-9-13-6-16-7-14(13)10-17/h1-4,12-14,16H,5-10H2
InChIKeyGUXLWIUWISZRMI-UHFFFAOYSA-N
XLogP1.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole with MolForge

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Related Compounds

1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-methyl-1,5-diazocane
CID 66408448
(3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-ol
CID 66394300
(3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-3-amine
CID 102985398
[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methylmorpholin-2-yl]methanol
CID 102935829
4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)morpholine-2-carbonitrile
CID 79674788
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(chloromethyl)piperidine
CID 66394693
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone
CID 66396346
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyclohexylpiperazine
CID 66396255
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929794
2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]ethanamine
CID 66417765
7-(bromomethyl)bicyclo[4.2.0]octa-1,3,5-triene
CID 65438345
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-propan-2-ylpyrrolidin-3-amine
CID 66407796

Frequently Asked Questions

What is the IUPAC name of 5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 66418763) is 5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is c1ccc2c(c1)CC2CN1CC2CNCC2C1.
What is the InChIKey of 5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is GUXLWIUWISZRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-2-4-15-11(3-1)5-12(15)8-17-9-13-6-16-7-14(13)10-17/h1-4,12-14,16H,5-10H2.
What are the key properties of 5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 228.34 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66418763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).