2-cyclotetradecyl-1H-pyrrole

C18H31N — CID 173176326

IUPAC2-cyclotetradecyl-1H-pyrrole
SMILESc1c[nH]c(C2CCCCCCCCCCCCC2)c1
InChIInChI=1S/C18H31N/c1-2-4-6-8-10-13-17(18-15-12-16-19-18)14-11-9-7-5-3-1/h12,15-17,19H,1-11,13-14H2
InChIKeyBXLXWPGJAXDWEY-UHFFFAOYSA-N
MW261.45 g/mol
LogP6.18
Rot. Bonds1

About 2-cyclotetradecyl-1H-pyrrole

2-cyclotetradecyl-1H-pyrrole (PubChem CID 173176326) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 2-cyclotetradecyl-1H-pyrrole.

Molecular Properties

Compound Name2-cyclotetradecyl-1H-pyrrole
PubChem CID173176326
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name2-cyclotetradecyl-1H-pyrrole
SMILESc1c[nH]c(C2CCCCCCCCCCCCC2)c1
InChIInChI=1S/C18H31N/c1-2-4-6-8-10-13-17(18-15-12-16-19-18)14-11-9-7-5-3-1/h12,15-17,19H,1-11,13-14H2
InChIKeyBXLXWPGJAXDWEY-UHFFFAOYSA-N
XLogP6.18
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-cyclotetradecyl-1H-pyrrole?
The IUPAC name of 2-cyclotetradecyl-1H-pyrrole (CID 173176326) is 2-cyclotetradecyl-1H-pyrrole.
What is the SMILES notation for 2-cyclotetradecyl-1H-pyrrole?
The canonical SMILES for 2-cyclotetradecyl-1H-pyrrole is c1c[nH]c(C2CCCCCCCCCCCCC2)c1.
What is the InChIKey of 2-cyclotetradecyl-1H-pyrrole?
The InChIKey is BXLXWPGJAXDWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-2-4-6-8-10-13-17(18-15-12-16-19-18)14-11-9-7-5-3-1/h12,15-17,19H,1-11,13-14H2.
What are the key properties of 2-cyclotetradecyl-1H-pyrrole?
2-cyclotetradecyl-1H-pyrrole has a molecular weight of 261.45 g/mol, XLogP of 6.18, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclotetradecyl-1H-pyrrole is sourced from PubChem (CID 173176326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).