2-methyl-3-pentadecyl-1H-pyrrole

C20H37N — CID 173176418

IUPAC2-methyl-3-pentadecyl-1H-pyrrole
SMILESCCCCCCCCCCCCCCCc1cc[nH]c1C
InChIInChI=1S/C20H37N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21-19(20)2/h17-18,21H,3-16H2,1-2H3
InChIKeyUKNAVXIBZZOYIF-UHFFFAOYSA-N
MW291.52 g/mol
LogP6.96
Rot. Bonds14

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

2-methyl-3-pentadecyl-1H-pyrrole (PubChem CID 173176418) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is 2-methyl-3-pentadecyl-1H-pyrrole.

Molecular Properties

Compound Name2-methyl-3-pentadecyl-1H-pyrrole
PubChem CID173176418
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Name2-methyl-3-pentadecyl-1H-pyrrole
SMILESCCCCCCCCCCCCCCCc1cc[nH]c1C
InChIInChI=1S/C20H37N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21-19(20)2/h17-18,21H,3-16H2,1-2H3
InChIKeyUKNAVXIBZZOYIF-UHFFFAOYSA-N
XLogP6.96
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 56.96
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-tetracosyl-1H-pyrrole
CID 173176335
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
2,3-dimethyl-1,4-dipentylbenzene
CID 54478491
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pentadecyl-1H-pyrrole?
The IUPAC name of 2-methyl-3-pentadecyl-1H-pyrrole (CID 173176418) is 2-methyl-3-pentadecyl-1H-pyrrole.
What is the SMILES notation for 2-methyl-3-pentadecyl-1H-pyrrole?
The canonical SMILES for 2-methyl-3-pentadecyl-1H-pyrrole is CCCCCCCCCCCCCCCc1cc[nH]c1C.
What is the InChIKey of 2-methyl-3-pentadecyl-1H-pyrrole?
The InChIKey is UKNAVXIBZZOYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21-19(20)2/h17-18,21H,3-16H2,1-2H3.
What are the key properties of 2-methyl-3-pentadecyl-1H-pyrrole?
2-methyl-3-pentadecyl-1H-pyrrole has a molecular weight of 291.52 g/mol, XLogP of 6.96, 14 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pentadecyl-1H-pyrrole is sourced from PubChem (CID 173176418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).