2-[methyl-(methylideneamino)amino]prop-2-enal

C5H8N2O — CID 154681845

IUPAC2-[methyl-(methylideneamino)amino]prop-2-enal
SMILESC=NN(C)C(=C)C=O
InChIInChI=1S/C5H8N2O/c1-5(4-8)7(3)6-2/h4H,1-2H2,3H3
InChIKeyHZOVCOAEWIMGDP-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.25
Rot. Bonds3

About 2-[methyl-(methylideneamino)amino]prop-2-enal

2-[methyl-(methylideneamino)amino]prop-2-enal (PubChem CID 154681845) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 2-[methyl-(methylideneamino)amino]prop-2-enal.

Molecular Properties

Compound Name2-[methyl-(methylideneamino)amino]prop-2-enal
PubChem CID154681845
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name2-[methyl-(methylideneamino)amino]prop-2-enal
SMILESC=NN(C)C(=C)C=O
InChIInChI=1S/C5H8N2O/c1-5(4-8)7(3)6-2/h4H,1-2H2,3H3
InChIKeyHZOVCOAEWIMGDP-UHFFFAOYSA-N
XLogP0.25
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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 2-[methyl-(methylideneamino)amino]prop-2-enal?
The IUPAC name of 2-[methyl-(methylideneamino)amino]prop-2-enal (CID 154681845) is 2-[methyl-(methylideneamino)amino]prop-2-enal.
What is the SMILES notation for 2-[methyl-(methylideneamino)amino]prop-2-enal?
The canonical SMILES for 2-[methyl-(methylideneamino)amino]prop-2-enal is C=NN(C)C(=C)C=O.
What is the InChIKey of 2-[methyl-(methylideneamino)amino]prop-2-enal?
The InChIKey is HZOVCOAEWIMGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-5(4-8)7(3)6-2/h4H,1-2H2,3H3.
What are the key properties of 2-[methyl-(methylideneamino)amino]prop-2-enal?
2-[methyl-(methylideneamino)amino]prop-2-enal has a molecular weight of 112.13 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(methylideneamino)amino]prop-2-enal is sourced from PubChem (CID 154681845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).