2-(methyldiazenyl)prop-2-enal

C4H6N2O — CID 58989059

IUPAC2-(methyldiazenyl)prop-2-enal
SMILESC=C(C=O)/N=N/C
InChIInChI=1S/C4H6N2O/c1-4(3-7)6-5-2/h3H,1H2,2H3/b6-5+
InChIKeyCNUWZENKXIVNNQ-AATRIKPKSA-N
MW98.10 g/mol
LogP0.78
Rot. Bonds2

About 2-(methyldiazenyl)prop-2-enal

2-(methyldiazenyl)prop-2-enal (PubChem CID 58989059) has the molecular formula C4H6N2O and a molecular weight of 98.10 g/mol. Its IUPAC name is 2-(methyldiazenyl)prop-2-enal.

Molecular Properties

Compound Name2-(methyldiazenyl)prop-2-enal
PubChem CID58989059
Molecular FormulaC4H6N2O
Molecular Weight98.10 g/mol
Exact Mass98.05
IUPAC Name2-(methyldiazenyl)prop-2-enal
SMILESC=C(C=O)/N=N/C
InChIInChI=1S/C4H6N2O/c1-4(3-7)6-5-2/h3H,1H2,2H3/b6-5+
InChIKeyCNUWZENKXIVNNQ-AATRIKPKSA-N
XLogP0.78
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 50.78
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 2-(methyldiazenyl)prop-2-enal?
The IUPAC name of 2-(methyldiazenyl)prop-2-enal (CID 58989059) is 2-(methyldiazenyl)prop-2-enal.
What is the SMILES notation for 2-(methyldiazenyl)prop-2-enal?
The canonical SMILES for 2-(methyldiazenyl)prop-2-enal is C=C(C=O)/N=N/C.
What is the InChIKey of 2-(methyldiazenyl)prop-2-enal?
The InChIKey is CNUWZENKXIVNNQ-AATRIKPKSA-N. The full InChI is InChI=1S/C4H6N2O/c1-4(3-7)6-5-2/h3H,1H2,2H3/b6-5+.
What are the key properties of 2-(methyldiazenyl)prop-2-enal?
2-(methyldiazenyl)prop-2-enal has a molecular weight of 98.10 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methyldiazenyl)prop-2-enal is sourced from PubChem (CID 58989059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).