15-[(E)-but-1-enyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene

C17H20N2 — CID 15149392

IUPAC15-[(E)-but-1-enyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
SMILESCC/C=C/N1C2CCC1c1c([nH]c3ccccc13)C2
InChIInChI=1S/C17H20N2/c1-2-3-10-19-12-8-9-16(19)17-13-6-4-5-7-14(13)18-15(17)11-12/h3-7,10,12,16,18H,2,8-9,11H2,1H3/b10-3+
InChIKeyIGDYPUKNLMTHLR-XCVCLJGOSA-N
MW252.36 g/mol
LogP4.15
Rot. Bonds2

About 15-[(E)-but-1-enyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene

15-[(E)-but-1-enyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene (PubChem CID 15149392) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 15-[(E)-but-1-enyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene.

Molecular Properties

Compound Name15-[(E)-but-1-enyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
PubChem CID15149392
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name15-[(E)-but-1-enyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
SMILESCC/C=C/N1C2CCC1c1c([nH]c3ccccc13)C2
InChIInChI=1S/C17H20N2/c1-2-3-10-19-12-8-9-16(19)17-13-6-4-5-7-14(13)18-15(17)11-12/h3-7,10,12,16,18H,2,8-9,11H2,1H3/b10-3+
InChIKeyIGDYPUKNLMTHLR-XCVCLJGOSA-N
XLogP4.15
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 15-[(E)-but-1-enyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The IUPAC name of 15-[(E)-but-1-enyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene (CID 15149392) is 15-[(E)-but-1-enyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene.
What is the SMILES notation for 15-[(E)-but-1-enyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The canonical SMILES for 15-[(E)-but-1-enyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene is CC/C=C/N1C2CCC1c1c([nH]c3ccccc13)C2.
What is the InChIKey of 15-[(E)-but-1-enyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The InChIKey is IGDYPUKNLMTHLR-XCVCLJGOSA-N. The full InChI is InChI=1S/C17H20N2/c1-2-3-10-19-12-8-9-16(19)17-13-6-4-5-7-14(13)18-15(17)11-12/h3-7,10,12,16,18H,2,8-9,11H2,1H3/b10-3+.
What are the key properties of 15-[(E)-but-1-enyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
15-[(E)-but-1-enyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene has a molecular weight of 252.36 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[(E)-but-1-enyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene is sourced from PubChem (CID 15149392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).