2-nonan-3-yl-1H-pyrrole

C13H23N — CID 139299557

IUPAC2-nonan-3-yl-1H-pyrrole
SMILESCCCCCCC(CC)c1ccc[nH]1
InChIInChI=1S/C13H23N/c1-3-5-6-7-9-12(4-2)13-10-8-11-14-13/h8,10-12,14H,3-7,9H2,1-2H3
InChIKeyURWOSFVOCTUFSA-UHFFFAOYSA-N
MW193.33 g/mol
LogP4.48
Rot. Bonds7

About 2-nonan-3-yl-1H-pyrrole

2-nonan-3-yl-1H-pyrrole (PubChem CID 139299557) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 2-nonan-3-yl-1H-pyrrole.

Molecular Properties

Compound Name2-nonan-3-yl-1H-pyrrole
PubChem CID139299557
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name2-nonan-3-yl-1H-pyrrole
SMILESCCCCCCC(CC)c1ccc[nH]1
InChIInChI=1S/C13H23N/c1-3-5-6-7-9-12(4-2)13-10-8-11-14-13/h8,10-12,14H,3-7,9H2,1-2H3
InChIKeyURWOSFVOCTUFSA-UHFFFAOYSA-N
XLogP4.48
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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2-[(E)-10-methyltricos-9-en-11-yl]-1H-pyrrole
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Frequently Asked Questions

What is the IUPAC name of 2-nonan-3-yl-1H-pyrrole?
The IUPAC name of 2-nonan-3-yl-1H-pyrrole (CID 139299557) is 2-nonan-3-yl-1H-pyrrole.
What is the SMILES notation for 2-nonan-3-yl-1H-pyrrole?
The canonical SMILES for 2-nonan-3-yl-1H-pyrrole is CCCCCCC(CC)c1ccc[nH]1.
What is the InChIKey of 2-nonan-3-yl-1H-pyrrole?
The InChIKey is URWOSFVOCTUFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-3-5-6-7-9-12(4-2)13-10-8-11-14-13/h8,10-12,14H,3-7,9H2,1-2H3.
What are the key properties of 2-nonan-3-yl-1H-pyrrole?
2-nonan-3-yl-1H-pyrrole has a molecular weight of 193.33 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonan-3-yl-1H-pyrrole is sourced from PubChem (CID 139299557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).