(2E)-2-ethenyl-N'-hydroxypenta-2,4-dienimidamide

C7H10N2O — CID 88895219

IUPAC(2E)-2-ethenyl-N'-hydroxypenta-2,4-dienimidamide
SMILESC=C/C=C(C=C)/C(N)=N/O
InChIInChI=1S/C7H10N2O/c1-3-5-6(4-2)7(8)9-10/h3-5,10H,1-2H2,(H2,8,9)/b6-5+
InChIKeyJQUANNSBYDVDQX-AATRIKPKSA-N
MW138.17 g/mol
LogP1.03
Rot. Bonds3

About (2E)-2-ethenyl-N'-hydroxypenta-2,4-dienimidamide

(2E)-2-ethenyl-N'-hydroxypenta-2,4-dienimidamide (PubChem CID 88895219) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is (2E)-2-ethenyl-N'-hydroxypenta-2,4-dienimidamide.

Molecular Properties

Compound Name(2E)-2-ethenyl-N'-hydroxypenta-2,4-dienimidamide
PubChem CID88895219
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name(2E)-2-ethenyl-N'-hydroxypenta-2,4-dienimidamide
SMILESC=C/C=C(C=C)/C(N)=N/O
InChIInChI=1S/C7H10N2O/c1-3-5-6(4-2)7(8)9-10/h3-5,10H,1-2H2,(H2,8,9)/b6-5+
InChIKeyJQUANNSBYDVDQX-AATRIKPKSA-N
XLogP1.03
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethenyl-N'-hydroxypenta-2,4-dienimidamide?
The IUPAC name of (2E)-2-ethenyl-N'-hydroxypenta-2,4-dienimidamide (CID 88895219) is (2E)-2-ethenyl-N'-hydroxypenta-2,4-dienimidamide.
What is the SMILES notation for (2E)-2-ethenyl-N'-hydroxypenta-2,4-dienimidamide?
The canonical SMILES for (2E)-2-ethenyl-N'-hydroxypenta-2,4-dienimidamide is C=C/C=C(C=C)/C(N)=N/O.
What is the InChIKey of (2E)-2-ethenyl-N'-hydroxypenta-2,4-dienimidamide?
The InChIKey is JQUANNSBYDVDQX-AATRIKPKSA-N. The full InChI is InChI=1S/C7H10N2O/c1-3-5-6(4-2)7(8)9-10/h3-5,10H,1-2H2,(H2,8,9)/b6-5+.
What are the key properties of (2E)-2-ethenyl-N'-hydroxypenta-2,4-dienimidamide?
(2E)-2-ethenyl-N'-hydroxypenta-2,4-dienimidamide has a molecular weight of 138.17 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethenyl-N'-hydroxypenta-2,4-dienimidamide is sourced from PubChem (CID 88895219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).