ethane;[(3E,5Z)-hepta-1,3,5-trien-4-yl]hydrazine

C9H18N2 — CID 142089617

IUPACethane;[(3E,5Z)-hepta-1,3,5-trien-4-yl]hydrazine
SMILESC=C/C=C(\C=C/C)NN.CC
InChIInChI=1S/C7H12N2.C2H6/c1-3-5-7(9-8)6-4-2;1-2/h3-6,9H,1,8H2,2H3;1-2H3/b6-4-,7-5+;
InChIKeyXYDWQURQBITUAP-ZMVRXXEHSA-N
MW154.26 g/mol
LogP2.12
Rot. Bonds3

About ethane;[(3E,5Z)-hepta-1,3,5-trien-4-yl]hydrazine

ethane;[(3E,5Z)-hepta-1,3,5-trien-4-yl]hydrazine (PubChem CID 142089617) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;[(3E,5Z)-hepta-1,3,5-trien-4-yl]hydrazine.

Molecular Properties

Compound Nameethane;[(3E,5Z)-hepta-1,3,5-trien-4-yl]hydrazine
PubChem CID142089617
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;[(3E,5Z)-hepta-1,3,5-trien-4-yl]hydrazine
SMILESC=C/C=C(\C=C/C)NN.CC
InChIInChI=1S/C7H12N2.C2H6/c1-3-5-7(9-8)6-4-2;1-2/h3-6,9H,1,8H2,2H3;1-2H3/b6-4-,7-5+;
InChIKeyXYDWQURQBITUAP-ZMVRXXEHSA-N
XLogP2.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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 ethane;[(3E,5Z)-hepta-1,3,5-trien-4-yl]hydrazine?
The IUPAC name of ethane;[(3E,5Z)-hepta-1,3,5-trien-4-yl]hydrazine (CID 142089617) is ethane;[(3E,5Z)-hepta-1,3,5-trien-4-yl]hydrazine.
What is the SMILES notation for ethane;[(3E,5Z)-hepta-1,3,5-trien-4-yl]hydrazine?
The canonical SMILES for ethane;[(3E,5Z)-hepta-1,3,5-trien-4-yl]hydrazine is C=C/C=C(\C=C/C)NN.CC.
What is the InChIKey of ethane;[(3E,5Z)-hepta-1,3,5-trien-4-yl]hydrazine?
The InChIKey is XYDWQURQBITUAP-ZMVRXXEHSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-3-5-7(9-8)6-4-2;1-2/h3-6,9H,1,8H2,2H3;1-2H3/b6-4-,7-5+;.
What are the key properties of ethane;[(3E,5Z)-hepta-1,3,5-trien-4-yl]hydrazine?
ethane;[(3E,5Z)-hepta-1,3,5-trien-4-yl]hydrazine has a molecular weight of 154.26 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(3E,5Z)-hepta-1,3,5-trien-4-yl]hydrazine is sourced from PubChem (CID 142089617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).