1,3-dibutylpyrrole;hydrochloride

C12H22ClN — CID 175874933

IUPAC1,3-dibutylpyrrole;hydrochloride
SMILESCCCCc1ccn(CCCC)c1.Cl
InChIInChI=1S/C12H21N.ClH/c1-3-5-7-12-8-10-13(11-12)9-6-4-2;/h8,10-11H,3-7,9H2,1-2H3;1H
InChIKeyZHTXWSKUNHTDPB-UHFFFAOYSA-N
MW215.77 g/mol
LogP4.05
Rot. Bonds6

About 1,3-dibutylpyrrole;hydrochloride

1,3-dibutylpyrrole;hydrochloride (PubChem CID 175874933) has the molecular formula C12H22ClN and a molecular weight of 215.77 g/mol. Its IUPAC name is 1,3-dibutylpyrrole;hydrochloride.

Molecular Properties

Compound Name1,3-dibutylpyrrole;hydrochloride
PubChem CID175874933
Molecular FormulaC12H22ClN
Molecular Weight215.77 g/mol
Exact Mass215.14
IUPAC Name1,3-dibutylpyrrole;hydrochloride
SMILESCCCCc1ccn(CCCC)c1.Cl
InChIInChI=1S/C12H21N.ClH/c1-3-5-7-12-8-10-13(11-12)9-6-4-2;/h8,10-11H,3-7,9H2,1-2H3;1H
InChIKeyZHTXWSKUNHTDPB-UHFFFAOYSA-N
XLogP4.05
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.77
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibutylpyrrole;hydrochloride?
The IUPAC name of 1,3-dibutylpyrrole;hydrochloride (CID 175874933) is 1,3-dibutylpyrrole;hydrochloride.
What is the SMILES notation for 1,3-dibutylpyrrole;hydrochloride?
The canonical SMILES for 1,3-dibutylpyrrole;hydrochloride is CCCCc1ccn(CCCC)c1.Cl.
What is the InChIKey of 1,3-dibutylpyrrole;hydrochloride?
The InChIKey is ZHTXWSKUNHTDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N.ClH/c1-3-5-7-12-8-10-13(11-12)9-6-4-2;/h8,10-11H,3-7,9H2,1-2H3;1H.
What are the key properties of 1,3-dibutylpyrrole;hydrochloride?
1,3-dibutylpyrrole;hydrochloride has a molecular weight of 215.77 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibutylpyrrole;hydrochloride is sourced from PubChem (CID 175874933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).