3-octadecyl-1H-pyrrole

C22H41N — CID 14890918

IUPAC3-octadecyl-1H-pyrrole
SMILESCCCCCCCCCCCCCCCCCCc1cc[nH]c1
InChIInChI=1S/C22H41N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-20-23-21-22/h19-21,23H,2-18H2,1H3
InChIKeyGNRWJLDIWSTMMT-UHFFFAOYSA-N
MW319.58 g/mol
LogP7.82
Rot. Bonds17

About 3-octadecyl-1H-pyrrole

3-octadecyl-1H-pyrrole (PubChem CID 14890918) has the molecular formula C22H41N and a molecular weight of 319.58 g/mol. Its IUPAC name is 3-octadecyl-1H-pyrrole.

Molecular Properties

Compound Name3-octadecyl-1H-pyrrole
PubChem CID14890918
Molecular FormulaC22H41N
Molecular Weight319.58 g/mol
Exact Mass319.32
IUPAC Name3-octadecyl-1H-pyrrole
SMILESCCCCCCCCCCCCCCCCCCc1cc[nH]c1
InChIInChI=1S/C22H41N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-20-23-21-22/h19-21,23H,2-18H2,1H3
InChIKeyGNRWJLDIWSTMMT-UHFFFAOYSA-N
XLogP7.82
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.58
LogP ≤ 57.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-octadecyl-1H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-pentyl-1H-pyrrole
CID 15599581
1-butyl-4-nonylbenzene
CID 59545302
CID 59759292
CID 59759292
2-[4-(1H-pyrrol-3-yl)butyl]guanidine
CID 95435957
1-ethyl-4-octacosylbenzene
CID 175218304
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
3,4-dihexyl-1H-pyrrole
CID 67204335
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347

Frequently Asked Questions

What is the IUPAC name of 3-octadecyl-1H-pyrrole?
The IUPAC name of 3-octadecyl-1H-pyrrole (CID 14890918) is 3-octadecyl-1H-pyrrole.
What is the SMILES notation for 3-octadecyl-1H-pyrrole?
The canonical SMILES for 3-octadecyl-1H-pyrrole is CCCCCCCCCCCCCCCCCCc1cc[nH]c1.
What is the InChIKey of 3-octadecyl-1H-pyrrole?
The InChIKey is GNRWJLDIWSTMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-20-23-21-22/h19-21,23H,2-18H2,1H3.
What are the key properties of 3-octadecyl-1H-pyrrole?
3-octadecyl-1H-pyrrole has a molecular weight of 319.58 g/mol, XLogP of 7.82, 17 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-octadecyl-1H-pyrrole is sourced from PubChem (CID 14890918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).