3-propyl-1-undecylpyrrole;hydrochloride

C18H34ClN — CID 175874758

IUPAC3-propyl-1-undecylpyrrole;hydrochloride
SMILESCCCCCCCCCCCn1ccc(CCC)c1.Cl
InChIInChI=1S/C18H33N.ClH/c1-3-5-6-7-8-9-10-11-12-15-19-16-14-18(17-19)13-4-2;/h14,16-17H,3-13,15H2,1-2H3;1H
InChIKeyDREKTNRRODVKQK-UHFFFAOYSA-N
MW299.93 g/mol
LogP6.39
Rot. Bonds12

About 3-propyl-1-undecylpyrrole;hydrochloride

3-propyl-1-undecylpyrrole;hydrochloride (PubChem CID 175874758) has the molecular formula C18H34ClN and a molecular weight of 299.93 g/mol. Its IUPAC name is 3-propyl-1-undecylpyrrole;hydrochloride.

Molecular Properties

Compound Name3-propyl-1-undecylpyrrole;hydrochloride
PubChem CID175874758
Molecular FormulaC18H34ClN
Molecular Weight299.93 g/mol
Exact Mass299.24
IUPAC Name3-propyl-1-undecylpyrrole;hydrochloride
SMILESCCCCCCCCCCCn1ccc(CCC)c1.Cl
InChIInChI=1S/C18H33N.ClH/c1-3-5-6-7-8-9-10-11-12-15-19-16-14-18(17-19)13-4-2;/h14,16-17H,3-13,15H2,1-2H3;1H
InChIKeyDREKTNRRODVKQK-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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Related Compounds

1-dodecyl-3-propylpyrrole;formonitrile
CID 175849627
methanesulfonic acid;1-pentyl-3-propylpyrrole
CID 175874652
1,3-dibutylpyrrole;hydrochloride
CID 175874933
(1-heptylpyrrol-3-yl)methanol
CID 66399953
N-[(1-dodecylpyrrol-3-yl)methyl]ethanamine
CID 66404098
3-dodecyl-1-ethylpyrrole
CID 66960014
3-butyl-1-nonylpyrrole;trifluoromethanesulfonic acid
CID 175875008
(Z)-N'-[12-[3-(12-bromododecyl)pyrrol-1-yl]dodecyl]-N-tridecylethene-1,2-diamine
CID 130424625
1-methyl-3-tricosylpyrrole
CID 68544519
2-(1-propylpyrrol-3-yl)ethanamine
CID 66405428
1,3-dibutylpyrrole;trifluoromethanesulfonic acid
CID 175875115
1-decylpyridin-4-imine
CID 534503

Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-undecylpyrrole;hydrochloride?
The IUPAC name of 3-propyl-1-undecylpyrrole;hydrochloride (CID 175874758) is 3-propyl-1-undecylpyrrole;hydrochloride.
What is the SMILES notation for 3-propyl-1-undecylpyrrole;hydrochloride?
The canonical SMILES for 3-propyl-1-undecylpyrrole;hydrochloride is CCCCCCCCCCCn1ccc(CCC)c1.Cl.
What is the InChIKey of 3-propyl-1-undecylpyrrole;hydrochloride?
The InChIKey is DREKTNRRODVKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N.ClH/c1-3-5-6-7-8-9-10-11-12-15-19-16-14-18(17-19)13-4-2;/h14,16-17H,3-13,15H2,1-2H3;1H.
What are the key properties of 3-propyl-1-undecylpyrrole;hydrochloride?
3-propyl-1-undecylpyrrole;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 3-propyl-1-undecylpyrrole;hydrochloride is sourced from PubChem (CID 175874758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).