2-[2-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]phenoxy]acetic acid

C13H14N2O4 — CID 6901576

IUPAC2-[2-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1/C=N/NC(=O)C1CC1
InChIInChI=1S/C13H14N2O4/c16-12(17)8-19-11-4-2-1-3-10(11)7-14-15-13(18)9-5-6-9/h1-4,7,9H,5-6,8H2,(H,15,18)(H,16,17)/b14-7+
InChIKeyMQVYOCSBIKTJNC-VGOFMYFVSA-N
MW262.26 g/mol
LogP1.01
Rot. Bonds6

About 2-[2-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]phenoxy]acetic acid

2-[2-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]phenoxy]acetic acid (PubChem CID 6901576) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[2-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]phenoxy]acetic acid
PubChem CID6901576
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name2-[2-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1/C=N/NC(=O)C1CC1
InChIInChI=1S/C13H14N2O4/c16-12(17)8-19-11-4-2-1-3-10(11)7-14-15-13(18)9-5-6-9/h1-4,7,9H,5-6,8H2,(H,15,18)(H,16,17)/b14-7+
InChIKeyMQVYOCSBIKTJNC-VGOFMYFVSA-N
XLogP1.01
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 2-[2-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]phenoxy]acetic acid (CID 6901576) is 2-[2-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]phenoxy]acetic acid is O=C(O)COc1ccccc1/C=N/NC(=O)C1CC1.
What is the InChIKey of 2-[2-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]phenoxy]acetic acid?
The InChIKey is MQVYOCSBIKTJNC-VGOFMYFVSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-12(17)8-19-11-4-2-1-3-10(11)7-14-15-13(18)9-5-6-9/h1-4,7,9H,5-6,8H2,(H,15,18)(H,16,17)/b14-7+.
What are the key properties of 2-[2-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]phenoxy]acetic acid?
2-[2-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]phenoxy]acetic acid has a molecular weight of 262.26 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]phenoxy]acetic acid is sourced from PubChem (CID 6901576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).