2-methyl-3-tetracosyl-1H-pyrrole

C29H55N — CID 173176335

IUPAC2-methyl-3-tetracosyl-1H-pyrrole
SMILESCCCCCCCCCCCCCCCCCCCCCCCCc1cc[nH]c1C
InChIInChI=1S/C29H55N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-26-27-30-28(29)2/h26-27,30H,3-25H2,1-2H3
InChIKeyOOAIAETXZXQVLG-UHFFFAOYSA-N
MW417.77 g/mol
LogP10.47
Rot. Bonds23

About 2-methyl-3-tetracosyl-1H-pyrrole

2-methyl-3-tetracosyl-1H-pyrrole (PubChem CID 173176335) has the molecular formula C29H55N and a molecular weight of 417.77 g/mol. Its IUPAC name is 2-methyl-3-tetracosyl-1H-pyrrole.

Molecular Properties

Compound Name2-methyl-3-tetracosyl-1H-pyrrole
PubChem CID173176335
Molecular FormulaC29H55N
Molecular Weight417.77 g/mol
Exact Mass417.43
IUPAC Name2-methyl-3-tetracosyl-1H-pyrrole
SMILESCCCCCCCCCCCCCCCCCCCCCCCCc1cc[nH]c1C
InChIInChI=1S/C29H55N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-26-27-30-28(29)2/h26-27,30H,3-25H2,1-2H3
InChIKeyOOAIAETXZXQVLG-UHFFFAOYSA-N
XLogP10.47
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.77
LogP ≤ 510.47
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-methyl-3-pentadecyl-1H-pyrrole
CID 173176418
2-methyl-3-tetradecyl-1H-pyrrole;hydrobromide
CID 174987757
2,3-dihexadecyl-1H-pyrrole
CID 175695832
3-dodecyl-2-ethyl-1H-pyrrole
CID 155659713
3-hexyl-1H-pyrrol-2-ol
CID 140967880
3-docosyl-1H-pyrrole-2-carbaldehyde
CID 163030493
3-icosyl-1H-pyrrole-2-carbaldehyde
CID 162936507
3-hydroxy-4-octadecyl-1H-pyridin-2-one
CID 151285880
(2-pentyl-1H-pyrrol-3-yl)methanol
CID 67828685
1-dodecyl-2-hexylbenzene
CID 19371073
2,3-dimethyl-1,4-dipentylbenzene
CID 54478491
1-nonyl-2-pentylbenzene
CID 54050070

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-tetracosyl-1H-pyrrole?
The IUPAC name of 2-methyl-3-tetracosyl-1H-pyrrole (CID 173176335) is 2-methyl-3-tetracosyl-1H-pyrrole.
What is the SMILES notation for 2-methyl-3-tetracosyl-1H-pyrrole?
The canonical SMILES for 2-methyl-3-tetracosyl-1H-pyrrole is CCCCCCCCCCCCCCCCCCCCCCCCc1cc[nH]c1C.
What is the InChIKey of 2-methyl-3-tetracosyl-1H-pyrrole?
The InChIKey is OOAIAETXZXQVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H55N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-26-27-30-28(29)2/h26-27,30H,3-25H2,1-2H3.
What are the key properties of 2-methyl-3-tetracosyl-1H-pyrrole?
2-methyl-3-tetracosyl-1H-pyrrole has a molecular weight of 417.77 g/mol, XLogP of 10.47, 23 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-tetracosyl-1H-pyrrole is sourced from PubChem (CID 173176335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).