2-(1-adamantyl)-1H-pyrrole

C14H19N — CID 11974410

IUPAC2-(1-adamantyl)-1H-pyrrole
SMILESc1c[nH]c(C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C14H19N/c1-2-13(15-3-1)14-7-10-4-11(8-14)6-12(5-10)9-14/h1-3,10-12,15H,4-9H2
InChIKeyUFEYSLWXIVXTAH-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.48
Rot. Bonds1

About 2-(1-adamantyl)-1H-pyrrole

2-(1-adamantyl)-1H-pyrrole (PubChem CID 11974410) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-(1-adamantyl)-1H-pyrrole.

Molecular Properties

Compound Name2-(1-adamantyl)-1H-pyrrole
PubChem CID11974410
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2-(1-adamantyl)-1H-pyrrole
SMILESc1c[nH]c(C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C14H19N/c1-2-13(15-3-1)14-7-10-4-11(8-14)6-12(5-10)9-14/h1-3,10-12,15H,4-9H2
InChIKeyUFEYSLWXIVXTAH-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

2-Phenylpyrrole
CID 72898
4,5,6,7-Tetrahydroindole
CID 97429
1H-Pyrrole-2-methanamine, N-(phenylmethyl)-
CID 413448
1H-Pyrrole, 2,4-diphenyl-
CID 76761
2-tert-butyl-1H-pyrrole
CID 220945
(2-phenylethyl)(1H-pyrrol-2-ylmethyl)amine
CID 16110292
methyl(2-phenylethyl)(1H-pyrrol-2-ylmethyl)amine
CID 16110293
methyl(3-phenylpropyl)(1H-pyrrol-2-ylmethyl)amine
CID 16110294
[(1R)-1-cyclohexylethyl](methyl)(1H-pyrrol-2-ylmethyl)amine
CID 16110300
2-Amino-4-(1H-pyrrol-2-yl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile
CID 652026
4-methyl-2-phenyl-1H-pyrrole
CID 12436850
2-Methyl-3-amylpyrrole
CID 3082128

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-1H-pyrrole?
The IUPAC name of 2-(1-adamantyl)-1H-pyrrole (CID 11974410) is 2-(1-adamantyl)-1H-pyrrole.
What is the SMILES notation for 2-(1-adamantyl)-1H-pyrrole?
The canonical SMILES for 2-(1-adamantyl)-1H-pyrrole is c1c[nH]c(C23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of 2-(1-adamantyl)-1H-pyrrole?
The InChIKey is UFEYSLWXIVXTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-2-13(15-3-1)14-7-10-4-11(8-14)6-12(5-10)9-14/h1-3,10-12,15H,4-9H2.
What are the key properties of 2-(1-adamantyl)-1H-pyrrole?
2-(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 2-(1-adamantyl)-1H-pyrrole is sourced from PubChem (CID 11974410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).