5-methyl-4-pentyl-3,4-dihydro-2H-pyrrol-1-ium

C10H20N+ — CID 90658301

IUPAC5-methyl-4-pentyl-3,4-dihydro-2H-pyrrol-1-ium
SMILESCCCCCC1CC[NH+]=C1C
InChIInChI=1S/C10H19N/c1-3-4-5-6-10-7-8-11-9(10)2/h10H,3-8H2,1-2H3/p+1
InChIKeySYVGKQQCYXDCKB-UHFFFAOYSA-O
MW154.28 g/mol
LogP1.13
Rot. Bonds4

About 5-methyl-4-pentyl-3,4-dihydro-2H-pyrrol-1-ium

5-methyl-4-pentyl-3,4-dihydro-2H-pyrrol-1-ium (PubChem CID 90658301) has the molecular formula C10H20N+ and a molecular weight of 154.28 g/mol. Its IUPAC name is 5-methyl-4-pentyl-3,4-dihydro-2H-pyrrol-1-ium.

Molecular Properties

Compound Name5-methyl-4-pentyl-3,4-dihydro-2H-pyrrol-1-ium
PubChem CID90658301
Molecular FormulaC10H20N+
Molecular Weight154.28 g/mol
Exact Mass154.16
IUPAC Name5-methyl-4-pentyl-3,4-dihydro-2H-pyrrol-1-ium
SMILESCCCCCC1CC[NH+]=C1C
InChIInChI=1S/C10H19N/c1-3-4-5-6-10-7-8-11-9(10)2/h10H,3-8H2,1-2H3/p+1
InChIKeySYVGKQQCYXDCKB-UHFFFAOYSA-O
XLogP1.13
TPSA13.97 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 51.13
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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-pentyl-3,4-dihydro-2H-pyrrol-1-ium?
The IUPAC name of 5-methyl-4-pentyl-3,4-dihydro-2H-pyrrol-1-ium (CID 90658301) is 5-methyl-4-pentyl-3,4-dihydro-2H-pyrrol-1-ium.
What is the SMILES notation for 5-methyl-4-pentyl-3,4-dihydro-2H-pyrrol-1-ium?
The canonical SMILES for 5-methyl-4-pentyl-3,4-dihydro-2H-pyrrol-1-ium is CCCCCC1CC[NH+]=C1C.
What is the InChIKey of 5-methyl-4-pentyl-3,4-dihydro-2H-pyrrol-1-ium?
The InChIKey is SYVGKQQCYXDCKB-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H19N/c1-3-4-5-6-10-7-8-11-9(10)2/h10H,3-8H2,1-2H3/p+1.
What are the key properties of 5-methyl-4-pentyl-3,4-dihydro-2H-pyrrol-1-ium?
5-methyl-4-pentyl-3,4-dihydro-2H-pyrrol-1-ium has a molecular weight of 154.28 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-pentyl-3,4-dihydro-2H-pyrrol-1-ium is sourced from PubChem (CID 90658301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).