2-hexacosyl-1H-pyrrole

C30H57N — CID 173177329

IUPAC2-hexacosyl-1H-pyrrole
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCc1ccc[nH]1
InChIInChI=1S/C30H57N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-30-28-26-29-31-30/h26,28-29,31H,2-25,27H2,1H3
InChIKeyLWASJBZYQDDZFJ-UHFFFAOYSA-N
MW431.79 g/mol
LogP10.94
Rot. Bonds25

About 2-hexacosyl-1H-pyrrole

2-hexacosyl-1H-pyrrole (PubChem CID 173177329) has the molecular formula C30H57N and a molecular weight of 431.79 g/mol. Its IUPAC name is 2-hexacosyl-1H-pyrrole.

Molecular Properties

Compound Name2-hexacosyl-1H-pyrrole
PubChem CID173177329
Molecular FormulaC30H57N
Molecular Weight431.79 g/mol
Exact Mass431.45
IUPAC Name2-hexacosyl-1H-pyrrole
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCc1ccc[nH]1
InChIInChI=1S/C30H57N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-30-28-26-29-31-30/h26,28-29,31H,2-25,27H2,1H3
InChIKeyLWASJBZYQDDZFJ-UHFFFAOYSA-N
XLogP10.94
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds25
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.79
LogP ≤ 510.94
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-henicosyl-1H-pyrrole
CID 173176320
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
2-(5-nitropentyl)-1H-pyrrole
CID 67867044
hydroxy-oxo-[5-(1H-pyrrol-2-yl)pentyl]phosphanium
CID 57287097
2-methyl-5-(1H-pyrrol-2-yl)pentan-2-amine
CID 116925231

Frequently Asked Questions

What is the IUPAC name of 2-hexacosyl-1H-pyrrole?
The IUPAC name of 2-hexacosyl-1H-pyrrole (CID 173177329) is 2-hexacosyl-1H-pyrrole.
What is the SMILES notation for 2-hexacosyl-1H-pyrrole?
The canonical SMILES for 2-hexacosyl-1H-pyrrole is CCCCCCCCCCCCCCCCCCCCCCCCCCc1ccc[nH]1.
What is the InChIKey of 2-hexacosyl-1H-pyrrole?
The InChIKey is LWASJBZYQDDZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H57N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-30-28-26-29-31-30/h26,28-29,31H,2-25,27H2,1H3.
What are the key properties of 2-hexacosyl-1H-pyrrole?
2-hexacosyl-1H-pyrrole has a molecular weight of 431.79 g/mol, XLogP of 10.94, 25 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexacosyl-1H-pyrrole is sourced from PubChem (CID 173177329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).