5-(3-methylphenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

C14H19NO — CID 115030262

IUPAC5-(3-methylphenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESCc1cccc(OC2CC3CNCC3C2)c1
InChIInChI=1S/C14H19NO/c1-10-3-2-4-13(5-10)16-14-6-11-8-15-9-12(11)7-14/h2-5,11-12,14-15H,6-9H2,1H3
InChIKeyQMLUPNIYWVHCCV-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.37
Rot. Bonds2

About 5-(3-methylphenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

5-(3-methylphenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (PubChem CID 115030262) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 5-(3-methylphenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name5-(3-methylphenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
PubChem CID115030262
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name5-(3-methylphenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESCc1cccc(OC2CC3CNCC3C2)c1
InChIInChI=1S/C14H19NO/c1-10-3-2-4-13(5-10)16-14-6-11-8-15-9-12(11)7-14/h2-5,11-12,14-15H,6-9H2,1H3
InChIKeyQMLUPNIYWVHCCV-UHFFFAOYSA-N
XLogP2.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(3-methylphenoxy)pyrrolidine
CID 24795651
3-(3-methylphenoxy)pyrrolidine
CID 18337170
3-[3-(3-methylphenyl)phenoxy]azetidine
CID 46204424
(3-methylphenoxy)cyclononane
CID 145391482
(3aR)-5-(3-pyrimidin-4-ylphenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 142482739
(3aR,6aS)-5-(7-ethoxynaphthalen-2-yl)oxy-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 67280662
5-[2-(3-methylphenoxy)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60916021
2-(3-methylphenoxy)oxirane
CID 89025102
1-(3-tert-butylcyclobutyl)-3-methylbenzene;1-(3-tert-butylcyclobutyl)oxy-3-methylbenzene;1-(3-tert-butylcyclobutyl)oxy-4-methylbenzene
CID 159678053
4-(3-methylphenoxy)piperidine-2-carboxylic acid
CID 115040790
6-(3-methylphenyl)-3-azabicyclo[3.2.0]heptane
CID 19963580
phosphane;tris(1,3-xylene)
CID 67351774

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The IUPAC name of 5-(3-methylphenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (CID 115030262) is 5-(3-methylphenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.
What is the SMILES notation for 5-(3-methylphenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The canonical SMILES for 5-(3-methylphenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is Cc1cccc(OC2CC3CNCC3C2)c1.
What is the InChIKey of 5-(3-methylphenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The InChIKey is QMLUPNIYWVHCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-3-2-4-13(5-10)16-14-6-11-8-15-9-12(11)7-14/h2-5,11-12,14-15H,6-9H2,1H3.
What are the key properties of 5-(3-methylphenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
5-(3-methylphenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole has a molecular weight of 217.31 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 115030262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).