1-heptadecylpyrrole

C21H39N — CID 23344128

IUPAC1-heptadecylpyrrole
SMILESCCCCCCCCCCCCCCCCCn1cccc1
InChIInChI=1S/C21H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-20-17-18-21-22/h17-18,20-21H,2-16,19H2,1H3
InChIKeyDANNSJGFZZLTNC-UHFFFAOYSA-N
MW305.55 g/mol
LogP7.36
Rot. Bonds16

About 1-heptadecylpyrrole

1-heptadecylpyrrole (PubChem CID 23344128) has the molecular formula C21H39N and a molecular weight of 305.55 g/mol. Its IUPAC name is 1-heptadecylpyrrole.

Molecular Properties

Compound Name1-heptadecylpyrrole
PubChem CID23344128
Molecular FormulaC21H39N
Molecular Weight305.55 g/mol
Exact Mass305.31
IUPAC Name1-heptadecylpyrrole
SMILESCCCCCCCCCCCCCCCCCn1cccc1
InChIInChI=1S/C21H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-20-17-18-21-22/h17-18,20-21H,2-16,19H2,1H3
InChIKeyDANNSJGFZZLTNC-UHFFFAOYSA-N
XLogP7.36
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.55
LogP ≤ 57.36
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-docosylpyrrole
CID 23344131
1-pentylpyrrole;propane
CID 174972146
1-(7-ethylheptadecyl)pyrrole
CID 175196584
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CID 91601822
1-decylpyridin-4-imine
CID 534503
1-octylpyrrole;tetrabutylazanium;trifluoromethanesulfonate
CID 22311736
1-dodecylpyrrole;pyrrolidin-2-one
CID 175299965
1-pyrrol-1-yloctadecan-2-one
CID 3310320
1-hexyl-3,4-dimethylpyrrole
CID 11252331
1-methoxyundecan-2-yl(6-pyrrol-1-ylhexyl)diazene
CID 58935096
1-butyl-3-(2-pyrrol-1-ylethyl)urea
CID 103740925
N-decyl-1-[12-(4-decylimino-1-pyridinyl)dodecyl]pyridin-4-imine
CID 13408540

Frequently Asked Questions

What is the IUPAC name of 1-heptadecylpyrrole?
The IUPAC name of 1-heptadecylpyrrole (CID 23344128) is 1-heptadecylpyrrole.
What is the SMILES notation for 1-heptadecylpyrrole?
The canonical SMILES for 1-heptadecylpyrrole is CCCCCCCCCCCCCCCCCn1cccc1.
What is the InChIKey of 1-heptadecylpyrrole?
The InChIKey is DANNSJGFZZLTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-20-17-18-21-22/h17-18,20-21H,2-16,19H2,1H3.
What are the key properties of 1-heptadecylpyrrole?
1-heptadecylpyrrole has a molecular weight of 305.55 g/mol, XLogP of 7.36, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptadecylpyrrole is sourced from PubChem (CID 23344128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).