5-(2-prop-1-enylphenoxy)pentanehydrazide

C14H20N2O2 — CID 77002054

IUPAC5-(2-prop-1-enylphenoxy)pentanehydrazide
SMILESCC=Cc1ccccc1OCCCCC(=O)NN
InChIInChI=1S/C14H20N2O2/c1-2-7-12-8-3-4-9-13(12)18-11-6-5-10-14(17)16-15/h2-4,7-9H,5-6,10-11,15H2,1H3,(H,16,17)
InChIKeyJTPZHOCHOOCTNE-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.26
Rot. Bonds7

About 5-(2-prop-1-enylphenoxy)pentanehydrazide

5-(2-prop-1-enylphenoxy)pentanehydrazide (PubChem CID 77002054) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-(2-prop-1-enylphenoxy)pentanehydrazide.

Molecular Properties

Compound Name5-(2-prop-1-enylphenoxy)pentanehydrazide
PubChem CID77002054
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5-(2-prop-1-enylphenoxy)pentanehydrazide
SMILESCC=Cc1ccccc1OCCCCC(=O)NN
InChIInChI=1S/C14H20N2O2/c1-2-7-12-8-3-4-9-13(12)18-11-6-5-10-14(17)16-15/h2-4,7-9H,5-6,10-11,15H2,1H3,(H,16,17)
InChIKeyJTPZHOCHOOCTNE-UHFFFAOYSA-N
XLogP2.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-(2-prop-1-enylphenoxy)hexanoate
CID 77024450
5-(2-ethoxyphenoxy)pentanehydrazide
CID 63575982
5-(2-ethylphenoxy)pentanehydrazide
CID 63569442
N-[2-(5-hydrazinyl-5-oxopentoxy)phenyl]acetamide
CID 63576193
1-(4-chlorobutoxy)-2-prop-1-enylbenzene
CID 76919134
2,2-dimethyl-3-(2-prop-1-enylphenoxy)propanehydrazide
CID 79626134
4-(2-methoxyphenoxy)butanehydrazide
CID 63576005
benzyl 3-[2-[(Z)-prop-1-enyl]phenoxy]propanoate
CID 89249565
N-methyl-4-(2-prop-1-enylphenoxy)butan-1-amine
CID 76943530
5-(2-nitrophenoxy)pentanehydrazide
CID 63576866
5-(2,3-difluorophenoxy)pentanehydrazide
CID 63569509
4-(2,3-dimethylphenoxy)butanehydrazide
CID 63574436

Frequently Asked Questions

What is the IUPAC name of 5-(2-prop-1-enylphenoxy)pentanehydrazide?
The IUPAC name of 5-(2-prop-1-enylphenoxy)pentanehydrazide (CID 77002054) is 5-(2-prop-1-enylphenoxy)pentanehydrazide.
What is the SMILES notation for 5-(2-prop-1-enylphenoxy)pentanehydrazide?
The canonical SMILES for 5-(2-prop-1-enylphenoxy)pentanehydrazide is CC=Cc1ccccc1OCCCCC(=O)NN.
What is the InChIKey of 5-(2-prop-1-enylphenoxy)pentanehydrazide?
The InChIKey is JTPZHOCHOOCTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-7-12-8-3-4-9-13(12)18-11-6-5-10-14(17)16-15/h2-4,7-9H,5-6,10-11,15H2,1H3,(H,16,17).
What are the key properties of 5-(2-prop-1-enylphenoxy)pentanehydrazide?
5-(2-prop-1-enylphenoxy)pentanehydrazide has a molecular weight of 248.33 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-prop-1-enylphenoxy)pentanehydrazide is sourced from PubChem (CID 77002054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).