5-methyl-4-pentyl-2H-pyrrole

C10H17N — CID 134817822

IUPAC5-methyl-4-pentyl-2H-pyrrole
SMILESCCCCCC1=CCN=C1C
InChIInChI=1S/C10H17N/c1-3-4-5-6-10-7-8-11-9(10)2/h7H,3-6,8H2,1-2H3
InChIKeyHEUXPLNYMGUBPK-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.97
Rot. Bonds4

About 5-methyl-4-pentyl-2H-pyrrole

5-methyl-4-pentyl-2H-pyrrole (PubChem CID 134817822) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 5-methyl-4-pentyl-2H-pyrrole.

Molecular Properties

Compound Name5-methyl-4-pentyl-2H-pyrrole
PubChem CID134817822
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name5-methyl-4-pentyl-2H-pyrrole
SMILESCCCCCC1=CCN=C1C
InChIInChI=1S/C10H17N/c1-3-4-5-6-10-7-8-11-9(10)2/h7H,3-6,8H2,1-2H3
InChIKeyHEUXPLNYMGUBPK-UHFFFAOYSA-N
XLogP2.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Lanopylin B1
CID 10087332
4-Heptadecylidene-5-methyl-3,4-dihydro-2H-pyrrole
CID 71374074
Lanopylin B2
CID 11279421
5-Methyl-4-nonadec-12-enylidene-2,3-dihydropyrrole
CID 72781473
Azabicyclononene
CID 67125311
Azabi-cyclooctene
CID 67389294
Azabicyclohexene
CID 67825525
Azabicycloheptene
CID 68526712
5-(6-fluorohexyl)-2H-pyrrole
CID 54509639
1-[(6R)-6-fluoro-5-methylidenecyclohexen-1-yl]-N-methylethanimine
CID 170395095
5-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrrole
CID 10057693
6-[(E)-but-2-en-2-yl]-2,3,4,5-tetrahydropyridine
CID 135038641

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-pentyl-2H-pyrrole?
The IUPAC name of 5-methyl-4-pentyl-2H-pyrrole (CID 134817822) is 5-methyl-4-pentyl-2H-pyrrole.
What is the SMILES notation for 5-methyl-4-pentyl-2H-pyrrole?
The canonical SMILES for 5-methyl-4-pentyl-2H-pyrrole is CCCCCC1=CCN=C1C.
What is the InChIKey of 5-methyl-4-pentyl-2H-pyrrole?
The InChIKey is HEUXPLNYMGUBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-3-4-5-6-10-7-8-11-9(10)2/h7H,3-6,8H2,1-2H3.
What are the key properties of 5-methyl-4-pentyl-2H-pyrrole?
5-methyl-4-pentyl-2H-pyrrole has a molecular weight of 151.25 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-pentyl-2H-pyrrole is sourced from PubChem (CID 134817822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).