5-nonyl-2H-pyrrole

C13H23N — CID 67015272

IUPAC5-nonyl-2H-pyrrole
SMILESCCCCCCCCCC1=NCC=C1
InChIInChI=1S/C13H23N/c1-2-3-4-5-6-7-8-10-13-11-9-12-14-13/h9,11H,2-8,10,12H2,1H3
InChIKeyWOQKQSZWAHDSHP-UHFFFAOYSA-N
MW193.33 g/mol
LogP4.14
Rot. Bonds8

About 5-nonyl-2H-pyrrole

5-nonyl-2H-pyrrole (PubChem CID 67015272) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 5-nonyl-2H-pyrrole.

Molecular Properties

Compound Name5-nonyl-2H-pyrrole
PubChem CID67015272
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name5-nonyl-2H-pyrrole
SMILESCCCCCCCCCC1=NCC=C1
InChIInChI=1S/C13H23N/c1-2-3-4-5-6-7-8-10-13-11-9-12-14-13/h9,11H,2-8,10,12H2,1H3
InChIKeyWOQKQSZWAHDSHP-UHFFFAOYSA-N
XLogP4.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(bromomethyl)-2H-pyrrole
CID 174955383
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4-dodecyl-2-(4-dodecyl-1,3-thiazol-2-yl)-1,3-thiazole
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heptane;nickel
CID 172769107
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CID 22621692
1-dodecylcyclopropene
CID 22621656
4-undecylimidazol-2-one
CID 154200859
bis(2-heptylcyclopenta-1,3-diene);iron(2+)
CID 20531351
1,2-diheptylcyclopropene
CID 557048
bis(2-hexylcyclopenta-1,3-diene);zirconium(4+);dichloride
CID 87133265
calcium;hydride;octane
CID 173403164

Frequently Asked Questions

What is the IUPAC name of 5-nonyl-2H-pyrrole?
The IUPAC name of 5-nonyl-2H-pyrrole (CID 67015272) is 5-nonyl-2H-pyrrole.
What is the SMILES notation for 5-nonyl-2H-pyrrole?
The canonical SMILES for 5-nonyl-2H-pyrrole is CCCCCCCCCC1=NCC=C1.
What is the InChIKey of 5-nonyl-2H-pyrrole?
The InChIKey is WOQKQSZWAHDSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-2-3-4-5-6-7-8-10-13-11-9-12-14-13/h9,11H,2-8,10,12H2,1H3.
What are the key properties of 5-nonyl-2H-pyrrole?
5-nonyl-2H-pyrrole has a molecular weight of 193.33 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nonyl-2H-pyrrole is sourced from PubChem (CID 67015272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).