(E)-3-(methyldiazenyl)pent-2-enal

C6H10N2O — CID 88939800

IUPAC(E)-3-(methyldiazenyl)pent-2-enal
SMILESCCC(=C\C=O)/N=N/C
InChIInChI=1S/C6H10N2O/c1-3-6(4-5-9)8-7-2/h4-5H,3H2,1-2H3/b6-4+,8-7+
InChIKeyVSPYSRKWVOMJQO-GFGVWQOPSA-N
MW126.16 g/mol
LogP1.56
Rot. Bonds3

About (E)-3-(methyldiazenyl)pent-2-enal

(E)-3-(methyldiazenyl)pent-2-enal (PubChem CID 88939800) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is (E)-3-(methyldiazenyl)pent-2-enal.

Molecular Properties

Compound Name(E)-3-(methyldiazenyl)pent-2-enal
PubChem CID88939800
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name(E)-3-(methyldiazenyl)pent-2-enal
SMILESCCC(=C\C=O)/N=N/C
InChIInChI=1S/C6H10N2O/c1-3-6(4-5-9)8-7-2/h4-5H,3H2,1-2H3/b6-4+,8-7+
InChIKeyVSPYSRKWVOMJQO-GFGVWQOPSA-N
XLogP1.56
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(methyldiazenyl)pent-2-enal?
The IUPAC name of (E)-3-(methyldiazenyl)pent-2-enal (CID 88939800) is (E)-3-(methyldiazenyl)pent-2-enal.
What is the SMILES notation for (E)-3-(methyldiazenyl)pent-2-enal?
The canonical SMILES for (E)-3-(methyldiazenyl)pent-2-enal is CCC(=C\C=O)/N=N/C.
What is the InChIKey of (E)-3-(methyldiazenyl)pent-2-enal?
The InChIKey is VSPYSRKWVOMJQO-GFGVWQOPSA-N. The full InChI is InChI=1S/C6H10N2O/c1-3-6(4-5-9)8-7-2/h4-5H,3H2,1-2H3/b6-4+,8-7+.
What are the key properties of (E)-3-(methyldiazenyl)pent-2-enal?
(E)-3-(methyldiazenyl)pent-2-enal has a molecular weight of 126.16 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(methyldiazenyl)pent-2-enal is sourced from PubChem (CID 88939800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).