(2E)-2-(diaminomethylidenehydrazinylidene)-2-phenylacetic acid

C9H10N4O2 — CID 10798307

IUPAC(2E)-2-(diaminomethylidenehydrazinylidene)-2-phenylacetic acid
SMILESNC(N)=N/N=C(/C(=O)O)c1ccccc1
InChIInChI=1S/C9H10N4O2/c10-9(11)13-12-7(8(14)15)6-4-2-1-3-5-6/h1-5H,(H,14,15)(H4,10,11,13)/b12-7+
InChIKeyLPMPKFIRFHHMBV-KPKJPENVSA-N
MW206.21 g/mol
LogP-0.25
Rot. Bonds3

About (2E)-2-(diaminomethylidenehydrazinylidene)-2-phenylacetic acid

(2E)-2-(diaminomethylidenehydrazinylidene)-2-phenylacetic acid (PubChem CID 10798307) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is (2E)-2-(diaminomethylidenehydrazinylidene)-2-phenylacetic acid.

Molecular Properties

Compound Name(2E)-2-(diaminomethylidenehydrazinylidene)-2-phenylacetic acid
PubChem CID10798307
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name(2E)-2-(diaminomethylidenehydrazinylidene)-2-phenylacetic acid
SMILESNC(N)=N/N=C(/C(=O)O)c1ccccc1
InChIInChI=1S/C9H10N4O2/c10-9(11)13-12-7(8(14)15)6-4-2-1-3-5-6/h1-5H,(H,14,15)(H4,10,11,13)/b12-7+
InChIKeyLPMPKFIRFHHMBV-KPKJPENVSA-N
XLogP-0.25
TPSA114.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 (2E)-2-(diaminomethylidenehydrazinylidene)-2-phenylacetic acid?
The IUPAC name of (2E)-2-(diaminomethylidenehydrazinylidene)-2-phenylacetic acid (CID 10798307) is (2E)-2-(diaminomethylidenehydrazinylidene)-2-phenylacetic acid.
What is the SMILES notation for (2E)-2-(diaminomethylidenehydrazinylidene)-2-phenylacetic acid?
The canonical SMILES for (2E)-2-(diaminomethylidenehydrazinylidene)-2-phenylacetic acid is NC(N)=N/N=C(/C(=O)O)c1ccccc1.
What is the InChIKey of (2E)-2-(diaminomethylidenehydrazinylidene)-2-phenylacetic acid?
The InChIKey is LPMPKFIRFHHMBV-KPKJPENVSA-N. The full InChI is InChI=1S/C9H10N4O2/c10-9(11)13-12-7(8(14)15)6-4-2-1-3-5-6/h1-5H,(H,14,15)(H4,10,11,13)/b12-7+.
What are the key properties of (2E)-2-(diaminomethylidenehydrazinylidene)-2-phenylacetic acid?
(2E)-2-(diaminomethylidenehydrazinylidene)-2-phenylacetic acid has a molecular weight of 206.21 g/mol, XLogP of -0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(diaminomethylidenehydrazinylidene)-2-phenylacetic acid is sourced from PubChem (CID 10798307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).