5-methyl-4-pentyl-3,4-dihydro-2H-pyrrole

C10H19N — CID 90658302

IUPAC5-methyl-4-pentyl-3,4-dihydro-2H-pyrrole
SMILESCCCCCC1CCN=C1C
InChIInChI=1S/C10H19N/c1-3-4-5-6-10-7-8-11-9(10)2/h10H,3-8H2,1-2H3
InChIKeySYVGKQQCYXDCKB-UHFFFAOYSA-N
MW153.27 g/mol
LogP3.05
Rot. Bonds4

About 5-methyl-4-pentyl-3,4-dihydro-2H-pyrrole

5-methyl-4-pentyl-3,4-dihydro-2H-pyrrole (PubChem CID 90658302) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 5-methyl-4-pentyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-methyl-4-pentyl-3,4-dihydro-2H-pyrrole
PubChem CID90658302
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name5-methyl-4-pentyl-3,4-dihydro-2H-pyrrole
SMILESCCCCCC1CCN=C1C
InChIInChI=1S/C10H19N/c1-3-4-5-6-10-7-8-11-9(10)2/h10H,3-8H2,1-2H3
InChIKeySYVGKQQCYXDCKB-UHFFFAOYSA-N
XLogP3.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.05
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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-pentyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-methyl-4-pentyl-3,4-dihydro-2H-pyrrole (CID 90658302) is 5-methyl-4-pentyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-methyl-4-pentyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-methyl-4-pentyl-3,4-dihydro-2H-pyrrole is CCCCCC1CCN=C1C.
What is the InChIKey of 5-methyl-4-pentyl-3,4-dihydro-2H-pyrrole?
The InChIKey is SYVGKQQCYXDCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-3-4-5-6-10-7-8-11-9(10)2/h10H,3-8H2,1-2H3.
What are the key properties of 5-methyl-4-pentyl-3,4-dihydro-2H-pyrrole?
5-methyl-4-pentyl-3,4-dihydro-2H-pyrrole has a molecular weight of 153.27 g/mol, XLogP of 3.05, 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-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 90658302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).