5-(1-adamantyl)-2-methyl-3,4-dihydro-2H-pyrrole

C15H23N — CID 132558513

IUPAC5-(1-adamantyl)-2-methyl-3,4-dihydro-2H-pyrrole
SMILESCC1CCC(C23CC4CC(CC(C4)C2)C3)=N1
InChIInChI=1S/C15H23N/c1-10-2-3-14(16-10)15-7-11-4-12(8-15)6-13(5-11)9-15/h10-13H,2-9H2,1H3
InChIKeyAZAODBQCUAEXNB-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.83
Rot. Bonds1

About 5-(1-adamantyl)-2-methyl-3,4-dihydro-2H-pyrrole

5-(1-adamantyl)-2-methyl-3,4-dihydro-2H-pyrrole (PubChem CID 132558513) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 5-(1-adamantyl)-2-methyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(1-adamantyl)-2-methyl-3,4-dihydro-2H-pyrrole
PubChem CID132558513
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name5-(1-adamantyl)-2-methyl-3,4-dihydro-2H-pyrrole
SMILESCC1CCC(C23CC4CC(CC(C4)C2)C3)=N1
InChIInChI=1S/C15H23N/c1-10-2-3-14(16-10)15-7-11-4-12(8-15)6-13(5-11)9-15/h10-13H,2-9H2,1H3
InChIKeyAZAODBQCUAEXNB-UHFFFAOYSA-N
XLogP3.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1-adamantyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 59656142
2-methyl-5-methylsulfanyl-3,4-dihydro-2H-pyrrole
CID 21041401
2-methyl-5-(4-methylphenyl)-3,4-dihydro-2H-pyrrole
CID 102142891
4-(1-adamantyl)-2,6-dimethylpyridine;hydrochloride
CID 44657953
1-[3-(1-adamantyl)-5-methylphenyl]adamantane
CID 178165770
1-(5-methylcyclopenta-1,4-dien-1-yl)adamantane
CID 23107142
3-(1-adamantyl)-5,5,7,7-tetramethylfuro[3,4-e][1,2,4]triazine
CID 12720232
4-(1-adamantyl)-5-methyl-1,3-thiazol-2-amine
CID 2836058
2,4,5-tris(1-adamantyl)-3,6-dimethylphenol
CID 87124806
4-(1-adamantyl)-2-methyl-1,3-oxazole
CID 2836021
(1S,8R)-5-(1-adamantyl)-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 15951437
2-(1-adamantyl)benzene-1,3-diol
CID 22754692

Frequently Asked Questions

What is the IUPAC name of 5-(1-adamantyl)-2-methyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(1-adamantyl)-2-methyl-3,4-dihydro-2H-pyrrole (CID 132558513) is 5-(1-adamantyl)-2-methyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(1-adamantyl)-2-methyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(1-adamantyl)-2-methyl-3,4-dihydro-2H-pyrrole is CC1CCC(C23CC4CC(CC(C4)C2)C3)=N1.
What is the InChIKey of 5-(1-adamantyl)-2-methyl-3,4-dihydro-2H-pyrrole?
The InChIKey is AZAODBQCUAEXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-10-2-3-14(16-10)15-7-11-4-12(8-15)6-13(5-11)9-15/h10-13H,2-9H2,1H3.
What are the key properties of 5-(1-adamantyl)-2-methyl-3,4-dihydro-2H-pyrrole?
5-(1-adamantyl)-2-methyl-3,4-dihydro-2H-pyrrole has a molecular weight of 217.36 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-adamantyl)-2-methyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 132558513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).