1-hexan-2-yl-2-pentylpyrrole

C15H27N — CID 71216360

IUPAC1-hexan-2-yl-2-pentylpyrrole
SMILESCCCCCc1cccn1C(C)CCCC
InChIInChI=1S/C15H27N/c1-4-6-8-11-15-12-9-13-16(15)14(3)10-7-5-2/h9,12-14H,4-8,10-11H2,1-3H3
InChIKeyXLDMVVMVNRVUJY-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.97
Rot. Bonds8

About 1-hexan-2-yl-2-pentylpyrrole

1-hexan-2-yl-2-pentylpyrrole (PubChem CID 71216360) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 1-hexan-2-yl-2-pentylpyrrole.

Molecular Properties

Compound Name1-hexan-2-yl-2-pentylpyrrole
PubChem CID71216360
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name1-hexan-2-yl-2-pentylpyrrole
SMILESCCCCCc1cccn1C(C)CCCC
InChIInChI=1S/C15H27N/c1-4-6-8-11-15-12-9-13-16(15)14(3)10-7-5-2/h9,12-14H,4-8,10-11H2,1-3H3
InChIKeyXLDMVVMVNRVUJY-UHFFFAOYSA-N
XLogP4.97
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.97
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-(bromomethyl)-2-hexylpyrrole
CID 175000826
1-tert-butyl-2-octylpyrrole;hydrobromide
CID 174917622
1-hexan-2-ylpyrrole
CID 62200835
1-benzyl-2-heptylpyrrole
CID 102411152
sodium 2-octylpyrrole-1-sulfonate
CID 23663213
ethyl 4-[2-(2-cyanoethyl)pyrrol-1-yl]pentanoate
CID 135066557
1-hexan-2-yl-3-propan-2-ylpyrazole
CID 122705387
2-butyl-N,N-dimethylpyrrol-1-amine
CID 14264384
1-heptadecan-2-yl-2-nonan-5-ylimidazole
CID 69408665
1-(4-methoxyphenyl)-2-pentylpyrrole
CID 86037398
1-heptadecan-2-yl-2-icosan-5-ylimidazole
CID 69405670
1-[1-[(2R)-5-chloropentan-2-yl]pyrrol-2-yl]butan-1-one
CID 10243435

Frequently Asked Questions

What is the IUPAC name of 1-hexan-2-yl-2-pentylpyrrole?
The IUPAC name of 1-hexan-2-yl-2-pentylpyrrole (CID 71216360) is 1-hexan-2-yl-2-pentylpyrrole.
What is the SMILES notation for 1-hexan-2-yl-2-pentylpyrrole?
The canonical SMILES for 1-hexan-2-yl-2-pentylpyrrole is CCCCCc1cccn1C(C)CCCC.
What is the InChIKey of 1-hexan-2-yl-2-pentylpyrrole?
The InChIKey is XLDMVVMVNRVUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-4-6-8-11-15-12-9-13-16(15)14(3)10-7-5-2/h9,12-14H,4-8,10-11H2,1-3H3.
What are the key properties of 1-hexan-2-yl-2-pentylpyrrole?
1-hexan-2-yl-2-pentylpyrrole has a molecular weight of 221.39 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-2-yl-2-pentylpyrrole is sourced from PubChem (CID 71216360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).