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

C14H27N — CID 134924189

IUPAC4-methyl-5-nonyl-3,4-dihydro-2H-pyrrole
SMILESCCCCCCCCCC1=NCCC1C
InChIInChI=1S/C14H27N/c1-3-4-5-6-7-8-9-10-14-13(2)11-12-15-14/h13H,3-12H2,1-2H3
InChIKeyKEOGANKPPHBFGL-UHFFFAOYSA-N
MW209.38 g/mol
LogP4.61
Rot. Bonds8

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

4-methyl-5-nonyl-3,4-dihydro-2H-pyrrole (PubChem CID 134924189) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 4-methyl-5-nonyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name4-methyl-5-nonyl-3,4-dihydro-2H-pyrrole
PubChem CID134924189
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name4-methyl-5-nonyl-3,4-dihydro-2H-pyrrole
SMILESCCCCCCCCCC1=NCCC1C
InChIInChI=1S/C14H27N/c1-3-4-5-6-7-8-9-10-14-13(2)11-12-15-14/h13H,3-12H2,1-2H3
InChIKeyKEOGANKPPHBFGL-UHFFFAOYSA-N
XLogP4.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.61
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

2-methyl-3-pentyl-4,5-dihydro-3H-pyrrole
CID 90658301
(4S)-5-methyl-4-tridecyl-3,4-dihydro-2H-pyrrole
CID 163023477
7-tert-Butyl-3,4,5,6(2H)-tetrahydroazepine
CID 574133
3,3a,4,5,6,7-Hexahydro-2H-indole
CID 579465
6-Cyclohexyl-2,3,4,5-tetrahydropyridine
CID 12229454
2-Methyl-3,3a,4,5,6,7-hexahydro-2H-indole
CID 14663696
6-(Propan-2-yl)-2,3,4,5-tetrahydropyridine
CID 22956980
2-Cyclohexyl-1-pyrroline
CID 53832044
2-Butyl-2-methyl-3,4-dihydropyrrole
CID 56617392
1-Methyl-2-azaspiro[4.5]dec-1-ene
CID 101961579
6-Butan-2-yl-2,3,4,5-tetrahydropyridine
CID 134926218
(3R,5S)-3-methyl-8-azabicyclo[3.2.1]oct-1(8)-ene
CID 163646465

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-nonyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 4-methyl-5-nonyl-3,4-dihydro-2H-pyrrole (CID 134924189) is 4-methyl-5-nonyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 4-methyl-5-nonyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 4-methyl-5-nonyl-3,4-dihydro-2H-pyrrole is CCCCCCCCCC1=NCCC1C.
What is the InChIKey of 4-methyl-5-nonyl-3,4-dihydro-2H-pyrrole?
The InChIKey is KEOGANKPPHBFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-3-4-5-6-7-8-9-10-14-13(2)11-12-15-14/h13H,3-12H2,1-2H3.
What are the key properties of 4-methyl-5-nonyl-3,4-dihydro-2H-pyrrole?
4-methyl-5-nonyl-3,4-dihydro-2H-pyrrole has a molecular weight of 209.38 g/mol, XLogP of 4.61, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-nonyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 134924189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).