5-[(2E)-1-tricyclo[9.2.2.02,10]pentadeca-2,12,14-trienyl]-3,4-dihydro-2H-pyrrole

C19H25N — CID 15920836

IUPAC5-[(2E)-1-tricyclo[9.2.2.02,10]pentadeca-2,12,14-trienyl]-3,4-dihydro-2H-pyrrole
SMILESC1=CC2(C3=NCCC3)C=CC1C1CCCCCC/C=C\12
InChIInChI=1S/C19H25N/c1-2-4-7-16-15-10-12-19(13-11-15,17(16)8-5-3-1)18-9-6-14-20-18/h8,10-13,15-16H,1-7,9,14H2/b17-8+
InChIKeyUDZYNSUWZAOKNN-CAOOACKPSA-N
MW267.42 g/mol
LogP4.86
Rot. Bonds1

About 5-[(2E)-1-tricyclo[9.2.2.02,10]pentadeca-2,12,14-trienyl]-3,4-dihydro-2H-pyrrole

5-[(2E)-1-tricyclo[9.2.2.02,10]pentadeca-2,12,14-trienyl]-3,4-dihydro-2H-pyrrole (PubChem CID 15920836) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 5-[(2E)-1-tricyclo[9.2.2.02,10]pentadeca-2,12,14-trienyl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-[(2E)-1-tricyclo[9.2.2.02,10]pentadeca-2,12,14-trienyl]-3,4-dihydro-2H-pyrrole
PubChem CID15920836
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name5-[(2E)-1-tricyclo[9.2.2.02,10]pentadeca-2,12,14-trienyl]-3,4-dihydro-2H-pyrrole
SMILESC1=CC2(C3=NCCC3)C=CC1C1CCCCCC/C=C\12
InChIInChI=1S/C19H25N/c1-2-4-7-16-15-10-12-19(13-11-15,17(16)8-5-3-1)18-9-6-14-20-18/h8,10-13,15-16H,1-7,9,14H2/b17-8+
InChIKeyUDZYNSUWZAOKNN-CAOOACKPSA-N
XLogP4.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-[(2E)-1-tricyclo[9.2.2.02,10]pentadeca-2,12,14-trienyl]-3,4-dihydro-2H-pyrrole with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-[(2E)-1-tricyclo[9.2.2.02,10]pentadeca-2,12,14-trienyl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-[(2E)-1-tricyclo[9.2.2.02,10]pentadeca-2,12,14-trienyl]-3,4-dihydro-2H-pyrrole (CID 15920836) is 5-[(2E)-1-tricyclo[9.2.2.02,10]pentadeca-2,12,14-trienyl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-[(2E)-1-tricyclo[9.2.2.02,10]pentadeca-2,12,14-trienyl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-[(2E)-1-tricyclo[9.2.2.02,10]pentadeca-2,12,14-trienyl]-3,4-dihydro-2H-pyrrole is C1=CC2(C3=NCCC3)C=CC1C1CCCCCC/C=C\12.
What is the InChIKey of 5-[(2E)-1-tricyclo[9.2.2.02,10]pentadeca-2,12,14-trienyl]-3,4-dihydro-2H-pyrrole?
The InChIKey is UDZYNSUWZAOKNN-CAOOACKPSA-N. The full InChI is InChI=1S/C19H25N/c1-2-4-7-16-15-10-12-19(13-11-15,17(16)8-5-3-1)18-9-6-14-20-18/h8,10-13,15-16H,1-7,9,14H2/b17-8+.
What are the key properties of 5-[(2E)-1-tricyclo[9.2.2.02,10]pentadeca-2,12,14-trienyl]-3,4-dihydro-2H-pyrrole?
5-[(2E)-1-tricyclo[9.2.2.02,10]pentadeca-2,12,14-trienyl]-3,4-dihydro-2H-pyrrole has a molecular weight of 267.42 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2E)-1-tricyclo[9.2.2.02,10]pentadeca-2,12,14-trienyl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 15920836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).