1-[2-(1-adamantyloxy)ethyl]pyrrole

C16H23NO — CID 4918979

IUPAC1-[2-(1-adamantyloxy)ethyl]pyrrole
SMILESc1ccn(CCOC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C16H23NO/c1-2-4-17(3-1)5-6-18-16-10-13-7-14(11-16)9-15(8-13)12-16/h1-4,13-15H,5-12H2
InChIKeyMINWXQVLTWCGNA-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.47
Rot. Bonds4

About 1-[2-(1-adamantyloxy)ethyl]pyrrole

1-[2-(1-adamantyloxy)ethyl]pyrrole (PubChem CID 4918979) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[2-(1-adamantyloxy)ethyl]pyrrole.

Molecular Properties

Compound Name1-[2-(1-adamantyloxy)ethyl]pyrrole
PubChem CID4918979
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-[2-(1-adamantyloxy)ethyl]pyrrole
SMILESc1ccn(CCOC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C16H23NO/c1-2-4-17(3-1)5-6-18-16-10-13-7-14(11-16)9-15(8-13)12-16/h1-4,13-15H,5-12H2
InChIKeyMINWXQVLTWCGNA-UHFFFAOYSA-N
XLogP3.47
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(1-adamantyloxy)ethyl]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-adamantyloxy)ethyl]pyrrole?
The IUPAC name of 1-[2-(1-adamantyloxy)ethyl]pyrrole (CID 4918979) is 1-[2-(1-adamantyloxy)ethyl]pyrrole.
What is the SMILES notation for 1-[2-(1-adamantyloxy)ethyl]pyrrole?
The canonical SMILES for 1-[2-(1-adamantyloxy)ethyl]pyrrole is c1ccn(CCOC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of 1-[2-(1-adamantyloxy)ethyl]pyrrole?
The InChIKey is MINWXQVLTWCGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-4-17(3-1)5-6-18-16-10-13-7-14(11-16)9-15(8-13)12-16/h1-4,13-15H,5-12H2.
What are the key properties of 1-[2-(1-adamantyloxy)ethyl]pyrrole?
1-[2-(1-adamantyloxy)ethyl]pyrrole has a molecular weight of 245.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-adamantyloxy)ethyl]pyrrole is sourced from PubChem (CID 4918979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).