1-methyl-2-nonan-3-ylpyrrole

C14H25N — CID 91052643

IUPAC1-methyl-2-nonan-3-ylpyrrole
SMILESCCCCCCC(CC)c1cccn1C
InChIInChI=1S/C14H25N/c1-4-6-7-8-10-13(5-2)14-11-9-12-15(14)3/h9,11-13H,4-8,10H2,1-3H3
InChIKeyZWQWDRKAJHURQP-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.49
Rot. Bonds7

About 1-methyl-2-nonan-3-ylpyrrole

1-methyl-2-nonan-3-ylpyrrole (PubChem CID 91052643) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 1-methyl-2-nonan-3-ylpyrrole.

Molecular Properties

Compound Name1-methyl-2-nonan-3-ylpyrrole
PubChem CID91052643
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name1-methyl-2-nonan-3-ylpyrrole
SMILESCCCCCCC(CC)c1cccn1C
InChIInChI=1S/C14H25N/c1-4-6-7-8-10-13(5-2)14-11-9-12-15(14)3/h9,11-13H,4-8,10H2,1-3H3
InChIKeyZWQWDRKAJHURQP-UHFFFAOYSA-N
XLogP4.49
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.49
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-heptan-4-yl-1-methylpyrrole
CID 142001413
octan-3-ylbenzene
CID 519547
1-methyl-2-nonan-3-ylimidazole
CID 138628571
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
2-nonan-3-yl-1H-pyrrole
CID 139299557
2-tetradecan-3-ylphenol
CID 66866793
2-dodecan-3-ylphenol
CID 12820018
1-decan-3-yl-2-methylbenzene
CID 152506171
1,3-dimethyl-2-octan-3-ylbenzene
CID 144744268
2-[(3R)-decan-3-yl]pyrimidine
CID 177414924
heptan-3-ylbenzene;methane
CID 159006232

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-nonan-3-ylpyrrole?
The IUPAC name of 1-methyl-2-nonan-3-ylpyrrole (CID 91052643) is 1-methyl-2-nonan-3-ylpyrrole.
What is the SMILES notation for 1-methyl-2-nonan-3-ylpyrrole?
The canonical SMILES for 1-methyl-2-nonan-3-ylpyrrole is CCCCCCC(CC)c1cccn1C.
What is the InChIKey of 1-methyl-2-nonan-3-ylpyrrole?
The InChIKey is ZWQWDRKAJHURQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-4-6-7-8-10-13(5-2)14-11-9-12-15(14)3/h9,11-13H,4-8,10H2,1-3H3.
What are the key properties of 1-methyl-2-nonan-3-ylpyrrole?
1-methyl-2-nonan-3-ylpyrrole has a molecular weight of 207.36 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-nonan-3-ylpyrrole is sourced from PubChem (CID 91052643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).