1-octyl-2-propylpyrrole

C15H27N — CID 171570532

IUPAC1-octyl-2-propylpyrrole
SMILESCCCCCCCCn1cccc1CCC
InChIInChI=1S/C15H27N/c1-3-5-6-7-8-9-13-16-14-10-12-15(16)11-4-2/h10,12,14H,3-9,11,13H2,1-2H3
InChIKeyIASRDYQPVICEDF-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.80
Rot. Bonds9

About 1-octyl-2-propylpyrrole

1-octyl-2-propylpyrrole (PubChem CID 171570532) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 1-octyl-2-propylpyrrole.

Molecular Properties

Compound Name1-octyl-2-propylpyrrole
PubChem CID171570532
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name1-octyl-2-propylpyrrole
SMILESCCCCCCCCn1cccc1CCC
InChIInChI=1S/C15H27N/c1-3-5-6-7-8-9-13-16-14-10-12-15(16)11-4-2/h10,12,14H,3-9,11,13H2,1-2H3
InChIKeyIASRDYQPVICEDF-UHFFFAOYSA-N
XLogP4.80
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.80
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-hexyl-2-propylpyrrole
CID 171570441
1-dodecyl-2-propylpyrrole
CID 171571227
2-(1-nonylpyrrol-2-yl)ethanamine
CID 66405846
1-dodecyl-2-propylpyrrole;trifluoromethanesulfonic acid
CID 175874765
1-dodecyl-2-ethylpyrrole;hydrochloride
CID 175874799
N-[(1-decylpyrrol-2-yl)methyl]ethanamine
CID 66402163
1-(1-hexylpyrrol-2-yl)propan-2-amine
CID 66406274
N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine
CID 66401799
2-methyl-N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine
CID 66401049
1-(bromomethyl)-2-hexylpyrrole
CID 175000826
(1-dodecylpyrrol-2-yl)phosphane
CID 21095442
2-methyl-1-undecylpyrrole;hydrofluoride
CID 175874866

Frequently Asked Questions

What is the IUPAC name of 1-octyl-2-propylpyrrole?
The IUPAC name of 1-octyl-2-propylpyrrole (CID 171570532) is 1-octyl-2-propylpyrrole.
What is the SMILES notation for 1-octyl-2-propylpyrrole?
The canonical SMILES for 1-octyl-2-propylpyrrole is CCCCCCCCn1cccc1CCC.
What is the InChIKey of 1-octyl-2-propylpyrrole?
The InChIKey is IASRDYQPVICEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-3-5-6-7-8-9-13-16-14-10-12-15(16)11-4-2/h10,12,14H,3-9,11,13H2,1-2H3.
What are the key properties of 1-octyl-2-propylpyrrole?
1-octyl-2-propylpyrrole has a molecular weight of 221.39 g/mol, XLogP of 4.80, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octyl-2-propylpyrrole is sourced from PubChem (CID 171570532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).