8-[(2E,4Z)-hexa-2,4-dien-3-yl]-7,9-diazatricyclo[9.4.0.02,4]pentadec-1(11)-ene

C19H30N2 — CID 166922542

IUPAC8-[(2E,4Z)-hexa-2,4-dien-3-yl]-7,9-diazatricyclo[9.4.0.02,4]pentadec-1(11)-ene
SMILESC/C=C\C(=C/C)C1NCCC2CC2C2=C(CCCC2)CN1
InChIInChI=1S/C19H30N2/c1-3-7-14(4-2)19-20-11-10-15-12-18(15)17-9-6-5-8-16(17)13-21-19/h3-4,7,15,18-21H,5-6,8-13H2,1-2H3/b7-3-,14-4+
InChIKeyBFVOPQQEEHFXNY-NBUNBRBESA-N
MW286.46 g/mol
LogP3.92
Rot. Bonds2

About 8-[(2E,4Z)-hexa-2,4-dien-3-yl]-7,9-diazatricyclo[9.4.0.02,4]pentadec-1(11)-ene

8-[(2E,4Z)-hexa-2,4-dien-3-yl]-7,9-diazatricyclo[9.4.0.02,4]pentadec-1(11)-ene (PubChem CID 166922542) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 8-[(2E,4Z)-hexa-2,4-dien-3-yl]-7,9-diazatricyclo[9.4.0.02,4]pentadec-1(11)-ene.

Molecular Properties

Compound Name8-[(2E,4Z)-hexa-2,4-dien-3-yl]-7,9-diazatricyclo[9.4.0.02,4]pentadec-1(11)-ene
PubChem CID166922542
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name8-[(2E,4Z)-hexa-2,4-dien-3-yl]-7,9-diazatricyclo[9.4.0.02,4]pentadec-1(11)-ene
SMILESC/C=C\C(=C/C)C1NCCC2CC2C2=C(CCCC2)CN1
InChIInChI=1S/C19H30N2/c1-3-7-14(4-2)19-20-11-10-15-12-18(15)17-9-6-5-8-16(17)13-21-19/h3-4,7,15,18-21H,5-6,8-13H2,1-2H3/b7-3-,14-4+
InChIKeyBFVOPQQEEHFXNY-NBUNBRBESA-N
XLogP3.92
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[(2E,4Z)-hexa-2,4-dien-3-yl]-7,9-diazatricyclo[9.4.0.02,4]pentadec-1(11)-ene?
The IUPAC name of 8-[(2E,4Z)-hexa-2,4-dien-3-yl]-7,9-diazatricyclo[9.4.0.02,4]pentadec-1(11)-ene (CID 166922542) is 8-[(2E,4Z)-hexa-2,4-dien-3-yl]-7,9-diazatricyclo[9.4.0.02,4]pentadec-1(11)-ene.
What is the SMILES notation for 8-[(2E,4Z)-hexa-2,4-dien-3-yl]-7,9-diazatricyclo[9.4.0.02,4]pentadec-1(11)-ene?
The canonical SMILES for 8-[(2E,4Z)-hexa-2,4-dien-3-yl]-7,9-diazatricyclo[9.4.0.02,4]pentadec-1(11)-ene is C/C=C\C(=C/C)C1NCCC2CC2C2=C(CCCC2)CN1.
What is the InChIKey of 8-[(2E,4Z)-hexa-2,4-dien-3-yl]-7,9-diazatricyclo[9.4.0.02,4]pentadec-1(11)-ene?
The InChIKey is BFVOPQQEEHFXNY-NBUNBRBESA-N. The full InChI is InChI=1S/C19H30N2/c1-3-7-14(4-2)19-20-11-10-15-12-18(15)17-9-6-5-8-16(17)13-21-19/h3-4,7,15,18-21H,5-6,8-13H2,1-2H3/b7-3-,14-4+.
What are the key properties of 8-[(2E,4Z)-hexa-2,4-dien-3-yl]-7,9-diazatricyclo[9.4.0.02,4]pentadec-1(11)-ene?
8-[(2E,4Z)-hexa-2,4-dien-3-yl]-7,9-diazatricyclo[9.4.0.02,4]pentadec-1(11)-ene has a molecular weight of 286.46 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2E,4Z)-hexa-2,4-dien-3-yl]-7,9-diazatricyclo[9.4.0.02,4]pentadec-1(11)-ene is sourced from PubChem (CID 166922542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).