1-[(3E,4Z)-6-chloro-3-ethylidenehepta-1,4,6-trien-2-yl]-2-methylhydrazine

C10H15ClN2 — CID 134569738

IUPAC1-[(3E,4Z)-6-chloro-3-ethylidenehepta-1,4,6-trien-2-yl]-2-methylhydrazine
SMILESC=C(Cl)/C=C\C(=C/C)C(=C)NNC
InChIInChI=1S/C10H15ClN2/c1-5-10(7-6-8(2)11)9(3)13-12-4/h5-7,12-13H,2-3H2,1,4H3/b7-6-,10-5+
InChIKeyASEKYTXTEYXCCI-JQEGGOPCSA-N
MW198.70 g/mol
LogP2.48
Rot. Bonds5

About 1-[(3E,4Z)-6-chloro-3-ethylidenehepta-1,4,6-trien-2-yl]-2-methylhydrazine

1-[(3E,4Z)-6-chloro-3-ethylidenehepta-1,4,6-trien-2-yl]-2-methylhydrazine (PubChem CID 134569738) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 1-[(3E,4Z)-6-chloro-3-ethylidenehepta-1,4,6-trien-2-yl]-2-methylhydrazine.

Molecular Properties

Compound Name1-[(3E,4Z)-6-chloro-3-ethylidenehepta-1,4,6-trien-2-yl]-2-methylhydrazine
PubChem CID134569738
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name1-[(3E,4Z)-6-chloro-3-ethylidenehepta-1,4,6-trien-2-yl]-2-methylhydrazine
SMILESC=C(Cl)/C=C\C(=C/C)C(=C)NNC
InChIInChI=1S/C10H15ClN2/c1-5-10(7-6-8(2)11)9(3)13-12-4/h5-7,12-13H,2-3H2,1,4H3/b7-6-,10-5+
InChIKeyASEKYTXTEYXCCI-JQEGGOPCSA-N
XLogP2.48
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.48
H-Bond Donors ≤ 52
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 1-[(3E,4Z)-6-chloro-3-ethylidenehepta-1,4,6-trien-2-yl]-2-methylhydrazine?
The IUPAC name of 1-[(3E,4Z)-6-chloro-3-ethylidenehepta-1,4,6-trien-2-yl]-2-methylhydrazine (CID 134569738) is 1-[(3E,4Z)-6-chloro-3-ethylidenehepta-1,4,6-trien-2-yl]-2-methylhydrazine.
What is the SMILES notation for 1-[(3E,4Z)-6-chloro-3-ethylidenehepta-1,4,6-trien-2-yl]-2-methylhydrazine?
The canonical SMILES for 1-[(3E,4Z)-6-chloro-3-ethylidenehepta-1,4,6-trien-2-yl]-2-methylhydrazine is C=C(Cl)/C=C\C(=C/C)C(=C)NNC.
What is the InChIKey of 1-[(3E,4Z)-6-chloro-3-ethylidenehepta-1,4,6-trien-2-yl]-2-methylhydrazine?
The InChIKey is ASEKYTXTEYXCCI-JQEGGOPCSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-5-10(7-6-8(2)11)9(3)13-12-4/h5-7,12-13H,2-3H2,1,4H3/b7-6-,10-5+.
What are the key properties of 1-[(3E,4Z)-6-chloro-3-ethylidenehepta-1,4,6-trien-2-yl]-2-methylhydrazine?
1-[(3E,4Z)-6-chloro-3-ethylidenehepta-1,4,6-trien-2-yl]-2-methylhydrazine has a molecular weight of 198.70 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,4Z)-6-chloro-3-ethylidenehepta-1,4,6-trien-2-yl]-2-methylhydrazine is sourced from PubChem (CID 134569738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).