2-henicosyl-1H-pyrrole

C25H47N — CID 173176320

IUPAC2-henicosyl-1H-pyrrole
SMILESCCCCCCCCCCCCCCCCCCCCCc1ccc[nH]1
InChIInChI=1S/C25H47N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-23-21-24-26-25/h21,23-24,26H,2-20,22H2,1H3
InChIKeyZXLDSBNCRIDSTD-UHFFFAOYSA-N
MW361.66 g/mol
LogP8.99
Rot. Bonds20

About 2-henicosyl-1H-pyrrole

2-henicosyl-1H-pyrrole (PubChem CID 173176320) has the molecular formula C25H47N and a molecular weight of 361.66 g/mol. Its IUPAC name is 2-henicosyl-1H-pyrrole.

Molecular Properties

Compound Name2-henicosyl-1H-pyrrole
PubChem CID173176320
Molecular FormulaC25H47N
Molecular Weight361.66 g/mol
Exact Mass361.37
IUPAC Name2-henicosyl-1H-pyrrole
SMILESCCCCCCCCCCCCCCCCCCCCCc1ccc[nH]1
InChIInChI=1S/C25H47N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-23-21-24-26-25/h21,23-24,26H,2-20,22H2,1H3
InChIKeyZXLDSBNCRIDSTD-UHFFFAOYSA-N
XLogP8.99
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.66
LogP ≤ 58.99
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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Related Compounds

2-hexacosyl-1H-pyrrole
CID 173177329
2-pentyl-1H-azonine
CID 174935963
molecular hydrogen;2-propyl-1H-pyrrole
CID 157161964
6-(1H-pyrrol-2-ylmethyl)undecan-6-ol
CID 67818955
4-pentyl-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62327186
3-nonyl-1H-pyridin-2-one
CID 91411158
2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]hexadecanamide
CID 174517586
2-ethyl-1H-pyrrole;hydrobromide
CID 174918112
4-(1H-pyrrol-2-yl)butylboronic acid
CID 57112268
hydroxy-oxo-[5-(1H-pyrrol-2-yl)pentyl]phosphanium
CID 57287097
2-(5-nitropentyl)-1H-pyrrole
CID 67867044
2-methyl-5-(1H-pyrrol-2-yl)pentan-2-amine
CID 116925231

Frequently Asked Questions

What is the IUPAC name of 2-henicosyl-1H-pyrrole?
The IUPAC name of 2-henicosyl-1H-pyrrole (CID 173176320) is 2-henicosyl-1H-pyrrole.
What is the SMILES notation for 2-henicosyl-1H-pyrrole?
The canonical SMILES for 2-henicosyl-1H-pyrrole is CCCCCCCCCCCCCCCCCCCCCc1ccc[nH]1.
What is the InChIKey of 2-henicosyl-1H-pyrrole?
The InChIKey is ZXLDSBNCRIDSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H47N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-23-21-24-26-25/h21,23-24,26H,2-20,22H2,1H3.
What are the key properties of 2-henicosyl-1H-pyrrole?
2-henicosyl-1H-pyrrole has a molecular weight of 361.66 g/mol, XLogP of 8.99, 20 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-henicosyl-1H-pyrrole is sourced from PubChem (CID 173176320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).