[10-(1H-pyrrole-2-carbonyloxy)-9-tricyclo[6.2.1.02,7]undecanyl] 1H-pyrrole-2-carboxylate

C21H24N2O4 — CID 170674267

IUPAC[10-(1H-pyrrole-2-carbonyloxy)-9-tricyclo[6.2.1.02,7]undecanyl] 1H-pyrrole-2-carboxylate
SMILESO=C(OC1C2CC(C3CCCCC32)C1OC(=O)c1ccc[nH]1)c1ccc[nH]1
InChIInChI=1S/C21H24N2O4/c24-20(16-7-3-9-22-16)26-18-14-11-15(13-6-2-1-5-12(13)14)19(18)27-21(25)17-8-4-10-23-17/h3-4,7-10,12-15,18-19,22-23H,1-2,5-6,11H2
InChIKeyFIVZNBAOMZRNQZ-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.55
Rot. Bonds4

About [10-(1H-pyrrole-2-carbonyloxy)-9-tricyclo[6.2.1.02,7]undecanyl] 1H-pyrrole-2-carboxylate

[10-(1H-pyrrole-2-carbonyloxy)-9-tricyclo[6.2.1.02,7]undecanyl] 1H-pyrrole-2-carboxylate (PubChem CID 170674267) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is [10-(1H-pyrrole-2-carbonyloxy)-9-tricyclo[6.2.1.02,7]undecanyl] 1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name[10-(1H-pyrrole-2-carbonyloxy)-9-tricyclo[6.2.1.02,7]undecanyl] 1H-pyrrole-2-carboxylate
PubChem CID170674267
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name[10-(1H-pyrrole-2-carbonyloxy)-9-tricyclo[6.2.1.02,7]undecanyl] 1H-pyrrole-2-carboxylate
SMILESO=C(OC1C2CC(C3CCCCC32)C1OC(=O)c1ccc[nH]1)c1ccc[nH]1
InChIInChI=1S/C21H24N2O4/c24-20(16-7-3-9-22-16)26-18-14-11-15(13-6-2-1-5-12(13)14)19(18)27-21(25)17-8-4-10-23-17/h3-4,7-10,12-15,18-19,22-23H,1-2,5-6,11H2
InChIKeyFIVZNBAOMZRNQZ-UHFFFAOYSA-N
XLogP3.55
TPSA84.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [10-(1H-pyrrole-2-carbonyloxy)-9-tricyclo[6.2.1.02,7]undecanyl] 1H-pyrrole-2-carboxylate?
The IUPAC name of [10-(1H-pyrrole-2-carbonyloxy)-9-tricyclo[6.2.1.02,7]undecanyl] 1H-pyrrole-2-carboxylate (CID 170674267) is [10-(1H-pyrrole-2-carbonyloxy)-9-tricyclo[6.2.1.02,7]undecanyl] 1H-pyrrole-2-carboxylate.
What is the SMILES notation for [10-(1H-pyrrole-2-carbonyloxy)-9-tricyclo[6.2.1.02,7]undecanyl] 1H-pyrrole-2-carboxylate?
The canonical SMILES for [10-(1H-pyrrole-2-carbonyloxy)-9-tricyclo[6.2.1.02,7]undecanyl] 1H-pyrrole-2-carboxylate is O=C(OC1C2CC(C3CCCCC32)C1OC(=O)c1ccc[nH]1)c1ccc[nH]1.
What is the InChIKey of [10-(1H-pyrrole-2-carbonyloxy)-9-tricyclo[6.2.1.02,7]undecanyl] 1H-pyrrole-2-carboxylate?
The InChIKey is FIVZNBAOMZRNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c24-20(16-7-3-9-22-16)26-18-14-11-15(13-6-2-1-5-12(13)14)19(18)27-21(25)17-8-4-10-23-17/h3-4,7-10,12-15,18-19,22-23H,1-2,5-6,11H2.
What are the key properties of [10-(1H-pyrrole-2-carbonyloxy)-9-tricyclo[6.2.1.02,7]undecanyl] 1H-pyrrole-2-carboxylate?
[10-(1H-pyrrole-2-carbonyloxy)-9-tricyclo[6.2.1.02,7]undecanyl] 1H-pyrrole-2-carboxylate has a molecular weight of 368.43 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [10-(1H-pyrrole-2-carbonyloxy)-9-tricyclo[6.2.1.02,7]undecanyl] 1H-pyrrole-2-carboxylate is sourced from PubChem (CID 170674267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).