2-[(2E)-2-ethenylpenta-2,4-dienyl]-1-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-[(2E,4Z)-hexa-2,4-dien-3-yl]hydrazine

C21H32N2 — CID 139542195

IUPAC2-[(2E)-2-ethenylpenta-2,4-dienyl]-1-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-[(2E,4Z)-hexa-2,4-dien-3-yl]hydrazine
SMILESC=C/C=C(\C=C)CNN(CC(=C/C)/C(C)=C\C)C(/C=C\C)=C/C
InChIInChI=1S/C21H32N2/c1-8-14-19(11-4)16-22-23(21(13-6)15-9-2)17-20(12-5)18(7)10-3/h8-15,22H,1,4,16-17H2,2-3,5-7H3/b15-9-,18-10-,19-14+,20-12-,21-13+
InChIKeySCXWFLVDVBADTQ-JOZMTTACSA-N
MW312.50 g/mol
LogP5.48
Rot. Bonds10

About 2-[(2E)-2-ethenylpenta-2,4-dienyl]-1-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-[(2E,4Z)-hexa-2,4-dien-3-yl]hydrazine

2-[(2E)-2-ethenylpenta-2,4-dienyl]-1-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-[(2E,4Z)-hexa-2,4-dien-3-yl]hydrazine (PubChem CID 139542195) has the molecular formula C21H32N2 and a molecular weight of 312.50 g/mol. Its IUPAC name is 2-[(2E)-2-ethenylpenta-2,4-dienyl]-1-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-[(2E,4Z)-hexa-2,4-dien-3-yl]hydrazine.

Molecular Properties

Compound Name2-[(2E)-2-ethenylpenta-2,4-dienyl]-1-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-[(2E,4Z)-hexa-2,4-dien-3-yl]hydrazine
PubChem CID139542195
Molecular FormulaC21H32N2
Molecular Weight312.50 g/mol
Exact Mass312.26
IUPAC Name2-[(2E)-2-ethenylpenta-2,4-dienyl]-1-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-[(2E,4Z)-hexa-2,4-dien-3-yl]hydrazine
SMILESC=C/C=C(\C=C)CNN(CC(=C/C)/C(C)=C\C)C(/C=C\C)=C/C
InChIInChI=1S/C21H32N2/c1-8-14-19(11-4)16-22-23(21(13-6)15-9-2)17-20(12-5)18(7)10-3/h8-15,22H,1,4,16-17H2,2-3,5-7H3/b15-9-,18-10-,19-14+,20-12-,21-13+
InChIKeySCXWFLVDVBADTQ-JOZMTTACSA-N
XLogP5.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.50
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-ethenylpenta-2,4-dienyl]-1-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-[(2E,4Z)-hexa-2,4-dien-3-yl]hydrazine?
The IUPAC name of 2-[(2E)-2-ethenylpenta-2,4-dienyl]-1-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-[(2E,4Z)-hexa-2,4-dien-3-yl]hydrazine (CID 139542195) is 2-[(2E)-2-ethenylpenta-2,4-dienyl]-1-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-[(2E,4Z)-hexa-2,4-dien-3-yl]hydrazine.
What is the SMILES notation for 2-[(2E)-2-ethenylpenta-2,4-dienyl]-1-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-[(2E,4Z)-hexa-2,4-dien-3-yl]hydrazine?
The canonical SMILES for 2-[(2E)-2-ethenylpenta-2,4-dienyl]-1-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-[(2E,4Z)-hexa-2,4-dien-3-yl]hydrazine is C=C/C=C(\C=C)CNN(CC(=C/C)/C(C)=C\C)C(/C=C\C)=C/C.
What is the InChIKey of 2-[(2E)-2-ethenylpenta-2,4-dienyl]-1-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-[(2E,4Z)-hexa-2,4-dien-3-yl]hydrazine?
The InChIKey is SCXWFLVDVBADTQ-JOZMTTACSA-N. The full InChI is InChI=1S/C21H32N2/c1-8-14-19(11-4)16-22-23(21(13-6)15-9-2)17-20(12-5)18(7)10-3/h8-15,22H,1,4,16-17H2,2-3,5-7H3/b15-9-,18-10-,19-14+,20-12-,21-13+.
What are the key properties of 2-[(2E)-2-ethenylpenta-2,4-dienyl]-1-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-[(2E,4Z)-hexa-2,4-dien-3-yl]hydrazine?
2-[(2E)-2-ethenylpenta-2,4-dienyl]-1-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-[(2E,4Z)-hexa-2,4-dien-3-yl]hydrazine has a molecular weight of 312.50 g/mol, XLogP of 5.48, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-ethenylpenta-2,4-dienyl]-1-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-[(2E,4Z)-hexa-2,4-dien-3-yl]hydrazine is sourced from PubChem (CID 139542195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).