2-nonyl-3H-pyrrole

C13H23N — CID 174944981

IUPAC2-nonyl-3H-pyrrole
SMILESCCCCCCCCCC1=NC=CC1
InChIInChI=1S/C13H23N/c1-2-3-4-5-6-7-8-10-13-11-9-12-14-13/h9,12H,2-8,10-11H2,1H3
InChIKeyDRXQHSVLHUKFPA-UHFFFAOYSA-N
MW193.33 g/mol
LogP4.49
Rot. Bonds8

About 2-nonyl-3H-pyrrole

2-nonyl-3H-pyrrole (PubChem CID 174944981) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 2-nonyl-3H-pyrrole.

Molecular Properties

Compound Name2-nonyl-3H-pyrrole
PubChem CID174944981
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name2-nonyl-3H-pyrrole
SMILESCCCCCCCCCC1=NC=CC1
InChIInChI=1S/C13H23N/c1-2-3-4-5-6-7-8-10-13-11-9-12-14-13/h9,12H,2-8,10-11H2,1H3
InChIKeyDRXQHSVLHUKFPA-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
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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Frequently Asked Questions

What is the IUPAC name of 2-nonyl-3H-pyrrole?
The IUPAC name of 2-nonyl-3H-pyrrole (CID 174944981) is 2-nonyl-3H-pyrrole.
What is the SMILES notation for 2-nonyl-3H-pyrrole?
The canonical SMILES for 2-nonyl-3H-pyrrole is CCCCCCCCCC1=NC=CC1.
What is the InChIKey of 2-nonyl-3H-pyrrole?
The InChIKey is DRXQHSVLHUKFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-2-3-4-5-6-7-8-10-13-11-9-12-14-13/h9,12H,2-8,10-11H2,1H3.
What are the key properties of 2-nonyl-3H-pyrrole?
2-nonyl-3H-pyrrole has a molecular weight of 193.33 g/mol, XLogP of 4.49, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonyl-3H-pyrrole is sourced from PubChem (CID 174944981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).