3-(1-adamantyl)-1H-pyrrole

C14H19N — CID 154732179

IUPAC3-(1-adamantyl)-1H-pyrrole
SMILESc1cc(C23CC4CC(CC(C4)C2)C3)c[nH]1
InChIInChI=1S/C14H19N/c1-2-15-9-13(1)14-6-10-3-11(7-14)5-12(4-10)8-14/h1-2,9-12,15H,3-8H2
InChIKeySQBCHZKPVYJPFM-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.48
Rot. Bonds1

About 3-(1-adamantyl)-1H-pyrrole

3-(1-adamantyl)-1H-pyrrole (PubChem CID 154732179) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-(1-adamantyl)-1H-pyrrole.

Molecular Properties

Compound Name3-(1-adamantyl)-1H-pyrrole
PubChem CID154732179
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name3-(1-adamantyl)-1H-pyrrole
SMILESc1cc(C23CC4CC(CC(C4)C2)C3)c[nH]1
InChIInChI=1S/C14H19N/c1-2-15-9-13(1)14-6-10-3-11(7-14)5-12(4-10)8-14/h1-2,9-12,15H,3-8H2
InChIKeySQBCHZKPVYJPFM-UHFFFAOYSA-N
XLogP3.48
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3-phenyl-1H-pyrrole
CID 5324110
3-tert-butyl-1H-pyrrole
CID 11029829
3-n-Octylpyrrole
CID 14510078
3-isopropyl-1H-pyrrole
CID 13165124
3-Heptylpyrrole
CID 258374
4,7-Dihydro-2H-4,7-ethanoisoindole
CID 14025669
1H-Pyrrole, 3-(phenylmethyl)-
CID 11768828
2-(Adamantan-1-yl)-1H-pyrrole
CID 11974410
3-Octadecyl-1H-pyrrole
CID 14890918
2-Methyl-g-n-propylpyrrole
CID 18917206
3-Decyl-1H-pyrrole
CID 22034821
3-Hexadecyl pyrrole
CID 23119004

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-1H-pyrrole?
The IUPAC name of 3-(1-adamantyl)-1H-pyrrole (CID 154732179) is 3-(1-adamantyl)-1H-pyrrole.
What is the SMILES notation for 3-(1-adamantyl)-1H-pyrrole?
The canonical SMILES for 3-(1-adamantyl)-1H-pyrrole is c1cc(C23CC4CC(CC(C4)C2)C3)c[nH]1.
What is the InChIKey of 3-(1-adamantyl)-1H-pyrrole?
The InChIKey is SQBCHZKPVYJPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-2-15-9-13(1)14-6-10-3-11(7-14)5-12(4-10)8-14/h1-2,9-12,15H,3-8H2.
What are the key properties of 3-(1-adamantyl)-1H-pyrrole?
3-(1-adamantyl)-1H-pyrrole has a molecular weight of 201.31 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-1H-pyrrole is sourced from PubChem (CID 154732179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).