1-(7-ethylheptadecyl)pyrrole

C23H43N — CID 175196584

IUPAC1-(7-ethylheptadecyl)pyrrole
SMILESCCCCCCCCCCC(CC)CCCCCCn1cccc1
InChIInChI=1S/C23H43N/c1-3-5-6-7-8-9-10-13-18-23(4-2)19-14-11-12-15-20-24-21-16-17-22-24/h16-17,21-23H,3-15,18-20H2,1-2H3
InChIKeyFMPXYOTVOGLCNQ-UHFFFAOYSA-N
MW333.60 g/mol
LogP8.00
Rot. Bonds17

About 1-(7-ethylheptadecyl)pyrrole

1-(7-ethylheptadecyl)pyrrole (PubChem CID 175196584) has the molecular formula C23H43N and a molecular weight of 333.60 g/mol. Its IUPAC name is 1-(7-ethylheptadecyl)pyrrole.

Molecular Properties

Compound Name1-(7-ethylheptadecyl)pyrrole
PubChem CID175196584
Molecular FormulaC23H43N
Molecular Weight333.60 g/mol
Exact Mass333.34
IUPAC Name1-(7-ethylheptadecyl)pyrrole
SMILESCCCCCCCCCCC(CC)CCCCCCn1cccc1
InChIInChI=1S/C23H43N/c1-3-5-6-7-8-9-10-13-18-23(4-2)19-14-11-12-15-20-24-21-16-17-22-24/h16-17,21-23H,3-15,18-20H2,1-2H3
InChIKeyFMPXYOTVOGLCNQ-UHFFFAOYSA-N
XLogP8.00
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.60
LogP ≤ 58.00
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-heptadecylpyrrole
CID 23344128
1-docosylpyrrole
CID 23344131
1-pentylpyrrole;propane
CID 174972146
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
7-ethyltridecane;methane
CID 158982306
4-ethylhexadecane
CID 528433
4-ethylnonadecane
CID 22223766
3-ethylpentacosane
CID 22224239
3-ethylicosane
CID 528487

Frequently Asked Questions

What is the IUPAC name of 1-(7-ethylheptadecyl)pyrrole?
The IUPAC name of 1-(7-ethylheptadecyl)pyrrole (CID 175196584) is 1-(7-ethylheptadecyl)pyrrole.
What is the SMILES notation for 1-(7-ethylheptadecyl)pyrrole?
The canonical SMILES for 1-(7-ethylheptadecyl)pyrrole is CCCCCCCCCCC(CC)CCCCCCn1cccc1.
What is the InChIKey of 1-(7-ethylheptadecyl)pyrrole?
The InChIKey is FMPXYOTVOGLCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43N/c1-3-5-6-7-8-9-10-13-18-23(4-2)19-14-11-12-15-20-24-21-16-17-22-24/h16-17,21-23H,3-15,18-20H2,1-2H3.
What are the key properties of 1-(7-ethylheptadecyl)pyrrole?
1-(7-ethylheptadecyl)pyrrole has a molecular weight of 333.60 g/mol, XLogP of 8.00, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethylheptadecyl)pyrrole is sourced from PubChem (CID 175196584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).