(2E,3Z)-5-amino-2-(aminomethylidene)hexa-3,5-dienoic acid

C7H10N2O2 — CID 87419505

IUPAC(2E,3Z)-5-amino-2-(aminomethylidene)hexa-3,5-dienoic acid
SMILESC=C(N)/C=C\C(=C/N)C(=O)O
InChIInChI=1S/C7H10N2O2/c1-5(9)2-3-6(4-8)7(10)11/h2-4H,1,8-9H2,(H,10,11)/b3-2-,6-4+
InChIKeyLJTKXXSINSBFNC-MGLVMYNNSA-N
MW154.17 g/mol
LogP-0.06
Rot. Bonds3

About (2E,3Z)-5-amino-2-(aminomethylidene)hexa-3,5-dienoic acid

(2E,3Z)-5-amino-2-(aminomethylidene)hexa-3,5-dienoic acid (PubChem CID 87419505) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is (2E,3Z)-5-amino-2-(aminomethylidene)hexa-3,5-dienoic acid.

Molecular Properties

Compound Name(2E,3Z)-5-amino-2-(aminomethylidene)hexa-3,5-dienoic acid
PubChem CID87419505
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name(2E,3Z)-5-amino-2-(aminomethylidene)hexa-3,5-dienoic acid
SMILESC=C(N)/C=C\C(=C/N)C(=O)O
InChIInChI=1S/C7H10N2O2/c1-5(9)2-3-6(4-8)7(10)11/h2-4H,1,8-9H2,(H,10,11)/b3-2-,6-4+
InChIKeyLJTKXXSINSBFNC-MGLVMYNNSA-N
XLogP-0.06
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-5-amino-2-(aminomethylidene)hexa-3,5-dienoic acid?
The IUPAC name of (2E,3Z)-5-amino-2-(aminomethylidene)hexa-3,5-dienoic acid (CID 87419505) is (2E,3Z)-5-amino-2-(aminomethylidene)hexa-3,5-dienoic acid.
What is the SMILES notation for (2E,3Z)-5-amino-2-(aminomethylidene)hexa-3,5-dienoic acid?
The canonical SMILES for (2E,3Z)-5-amino-2-(aminomethylidene)hexa-3,5-dienoic acid is C=C(N)/C=C\C(=C/N)C(=O)O.
What is the InChIKey of (2E,3Z)-5-amino-2-(aminomethylidene)hexa-3,5-dienoic acid?
The InChIKey is LJTKXXSINSBFNC-MGLVMYNNSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5(9)2-3-6(4-8)7(10)11/h2-4H,1,8-9H2,(H,10,11)/b3-2-,6-4+.
What are the key properties of (2E,3Z)-5-amino-2-(aminomethylidene)hexa-3,5-dienoic acid?
(2E,3Z)-5-amino-2-(aminomethylidene)hexa-3,5-dienoic acid has a molecular weight of 154.17 g/mol, XLogP of -0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-5-amino-2-(aminomethylidene)hexa-3,5-dienoic acid is sourced from PubChem (CID 87419505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).