2-methyl-1-undecylpyrrole;hydrofluoride

C16H30FN — CID 175874866

IUPAC2-methyl-1-undecylpyrrole;hydrofluoride
SMILESCCCCCCCCCCCn1cccc1C.F
InChIInChI=1S/C16H29N.FH/c1-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(17)2;/h12-13,15H,3-11,14H2,1-2H3;1H
InChIKeyQAYBRJMMLKQZMI-UHFFFAOYSA-N
MW255.42 g/mol
LogP5.48
Rot. Bonds10

About 2-methyl-1-undecylpyrrole;hydrofluoride

2-methyl-1-undecylpyrrole;hydrofluoride (PubChem CID 175874866) has the molecular formula C16H30FN and a molecular weight of 255.42 g/mol. Its IUPAC name is 2-methyl-1-undecylpyrrole;hydrofluoride.

Molecular Properties

Compound Name2-methyl-1-undecylpyrrole;hydrofluoride
PubChem CID175874866
Molecular FormulaC16H30FN
Molecular Weight255.42 g/mol
Exact Mass255.24
IUPAC Name2-methyl-1-undecylpyrrole;hydrofluoride
SMILESCCCCCCCCCCCn1cccc1C.F
InChIInChI=1S/C16H29N.FH/c1-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(17)2;/h12-13,15H,3-11,14H2,1-2H3;1H
InChIKeyQAYBRJMMLKQZMI-UHFFFAOYSA-N
XLogP5.48
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.42
LogP ≤ 55.48
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

1-butyl-2-methylpyrrole
CID 66974034
1-butyl-2-methylpyrrole;hydrobromide
CID 90238176
(1-dodecylpyrrol-2-yl)phosphane
CID 21095442
1-dodecyl-2-ethylpyrrole;hydrochloride
CID 175874799
1-hexyl-2-propylpyrrole
CID 171570441
1-dodecyl-2-propylpyrrole
CID 171571227
1-octyl-2-propylpyrrole
CID 171570532
1-pentylpyrrol-2-amine
CID 68716148
4-(2-methylpyrrol-1-yl)butanoic acid
CID 86172313
1-decylpyrrole-2-carboxylic acid
CID 79103270
3-bromo-1-dodecylpyridin-2-one
CID 114761270
2-(1-nonylpyrrol-2-yl)ethanamine
CID 66405846

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-undecylpyrrole;hydrofluoride?
The IUPAC name of 2-methyl-1-undecylpyrrole;hydrofluoride (CID 175874866) is 2-methyl-1-undecylpyrrole;hydrofluoride.
What is the SMILES notation for 2-methyl-1-undecylpyrrole;hydrofluoride?
The canonical SMILES for 2-methyl-1-undecylpyrrole;hydrofluoride is CCCCCCCCCCCn1cccc1C.F.
What is the InChIKey of 2-methyl-1-undecylpyrrole;hydrofluoride?
The InChIKey is QAYBRJMMLKQZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N.FH/c1-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(17)2;/h12-13,15H,3-11,14H2,1-2H3;1H.
What are the key properties of 2-methyl-1-undecylpyrrole;hydrofluoride?
2-methyl-1-undecylpyrrole;hydrofluoride has a molecular weight of 255.42 g/mol, XLogP of 5.48, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-undecylpyrrole;hydrofluoride is sourced from PubChem (CID 175874866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).