1-(4-methoxyphenyl)hex-5-en-2-ylhydrazine

C13H20N2O — CID 105205438

IUPAC1-(4-methoxyphenyl)hex-5-en-2-ylhydrazine
SMILESC=CCCC(Cc1ccc(OC)cc1)NN
InChIInChI=1S/C13H20N2O/c1-3-4-5-12(15-14)10-11-6-8-13(16-2)9-7-11/h3,6-9,12,15H,1,4-5,10,14H2,2H3
InChIKeyKNMSZSDUNRTMJZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.04
Rot. Bonds7

About 1-(4-methoxyphenyl)hex-5-en-2-ylhydrazine

1-(4-methoxyphenyl)hex-5-en-2-ylhydrazine (PubChem CID 105205438) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)hex-5-en-2-ylhydrazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)hex-5-en-2-ylhydrazine
PubChem CID105205438
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(4-methoxyphenyl)hex-5-en-2-ylhydrazine
SMILESC=CCCC(Cc1ccc(OC)cc1)NN
InChIInChI=1S/C13H20N2O/c1-3-4-5-12(15-14)10-11-6-8-13(16-2)9-7-11/h3,6-9,12,15H,1,4-5,10,14H2,2H3
InChIKeyKNMSZSDUNRTMJZ-UHFFFAOYSA-N
XLogP2.04
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)hex-5-en-2-ylhydrazine?
The IUPAC name of 1-(4-methoxyphenyl)hex-5-en-2-ylhydrazine (CID 105205438) is 1-(4-methoxyphenyl)hex-5-en-2-ylhydrazine.
What is the SMILES notation for 1-(4-methoxyphenyl)hex-5-en-2-ylhydrazine?
The canonical SMILES for 1-(4-methoxyphenyl)hex-5-en-2-ylhydrazine is C=CCCC(Cc1ccc(OC)cc1)NN.
What is the InChIKey of 1-(4-methoxyphenyl)hex-5-en-2-ylhydrazine?
The InChIKey is KNMSZSDUNRTMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-4-5-12(15-14)10-11-6-8-13(16-2)9-7-11/h3,6-9,12,15H,1,4-5,10,14H2,2H3.
What are the key properties of 1-(4-methoxyphenyl)hex-5-en-2-ylhydrazine?
1-(4-methoxyphenyl)hex-5-en-2-ylhydrazine has a molecular weight of 220.32 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)hex-5-en-2-ylhydrazine is sourced from PubChem (CID 105205438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).