1-dodecyl-2-ethylpyrrole;hydrochloride

C18H34ClN — CID 175874799

IUPAC1-dodecyl-2-ethylpyrrole;hydrochloride
SMILESCCCCCCCCCCCCn1cccc1CC.Cl
InChIInChI=1S/C18H33N.ClH/c1-3-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18(19)4-2;/h14-15,17H,3-13,16H2,1-2H3;1H
InChIKeyMLWRRCVJEFPIGI-UHFFFAOYSA-N
MW299.93 g/mol
LogP6.39
Rot. Bonds12

About 1-dodecyl-2-ethylpyrrole;hydrochloride

1-dodecyl-2-ethylpyrrole;hydrochloride (PubChem CID 175874799) has the molecular formula C18H34ClN and a molecular weight of 299.93 g/mol. Its IUPAC name is 1-dodecyl-2-ethylpyrrole;hydrochloride.

Molecular Properties

Compound Name1-dodecyl-2-ethylpyrrole;hydrochloride
PubChem CID175874799
Molecular FormulaC18H34ClN
Molecular Weight299.93 g/mol
Exact Mass299.24
IUPAC Name1-dodecyl-2-ethylpyrrole;hydrochloride
SMILESCCCCCCCCCCCCn1cccc1CC.Cl
InChIInChI=1S/C18H33N.ClH/c1-3-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18(19)4-2;/h14-15,17H,3-13,16H2,1-2H3;1H
InChIKeyMLWRRCVJEFPIGI-UHFFFAOYSA-N
XLogP6.39
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.93
LogP ≤ 56.39
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 1-dodecyl-2-ethylpyrrole;hydrochloride?
The IUPAC name of 1-dodecyl-2-ethylpyrrole;hydrochloride (CID 175874799) is 1-dodecyl-2-ethylpyrrole;hydrochloride.
What is the SMILES notation for 1-dodecyl-2-ethylpyrrole;hydrochloride?
The canonical SMILES for 1-dodecyl-2-ethylpyrrole;hydrochloride is CCCCCCCCCCCCn1cccc1CC.Cl.
What is the InChIKey of 1-dodecyl-2-ethylpyrrole;hydrochloride?
The InChIKey is MLWRRCVJEFPIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N.ClH/c1-3-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18(19)4-2;/h14-15,17H,3-13,16H2,1-2H3;1H.
What are the key properties of 1-dodecyl-2-ethylpyrrole;hydrochloride?
1-dodecyl-2-ethylpyrrole;hydrochloride has a molecular weight of 299.93 g/mol, XLogP of 6.39, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-2-ethylpyrrole;hydrochloride is sourced from PubChem (CID 175874799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).