(Z)-2-[methyl-(methylideneamino)amino]but-2-enal

C6H10N2O — CID 144718131

IUPAC(Z)-2-[methyl-(methylideneamino)amino]but-2-enal
SMILESC=NN(C)/C(C=O)=C\C
InChIInChI=1S/C6H10N2O/c1-4-6(5-9)8(3)7-2/h4-5H,2H2,1,3H3/b6-4-
InChIKeyLINIHJLUGRSWEU-XQRVVYSFSA-N
MW126.16 g/mol
LogP0.64
Rot. Bonds3

About (Z)-2-[methyl-(methylideneamino)amino]but-2-enal

(Z)-2-[methyl-(methylideneamino)amino]but-2-enal (PubChem CID 144718131) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is (Z)-2-[methyl-(methylideneamino)amino]but-2-enal.

Molecular Properties

Compound Name(Z)-2-[methyl-(methylideneamino)amino]but-2-enal
PubChem CID144718131
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name(Z)-2-[methyl-(methylideneamino)amino]but-2-enal
SMILESC=NN(C)/C(C=O)=C\C
InChIInChI=1S/C6H10N2O/c1-4-6(5-9)8(3)7-2/h4-5H,2H2,1,3H3/b6-4-
InChIKeyLINIHJLUGRSWEU-XQRVVYSFSA-N
XLogP0.64
TPSA32.67 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 ≤ 50.64
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 (Z)-2-[methyl-(methylideneamino)amino]but-2-enal?
The IUPAC name of (Z)-2-[methyl-(methylideneamino)amino]but-2-enal (CID 144718131) is (Z)-2-[methyl-(methylideneamino)amino]but-2-enal.
What is the SMILES notation for (Z)-2-[methyl-(methylideneamino)amino]but-2-enal?
The canonical SMILES for (Z)-2-[methyl-(methylideneamino)amino]but-2-enal is C=NN(C)/C(C=O)=C\C.
What is the InChIKey of (Z)-2-[methyl-(methylideneamino)amino]but-2-enal?
The InChIKey is LINIHJLUGRSWEU-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H10N2O/c1-4-6(5-9)8(3)7-2/h4-5H,2H2,1,3H3/b6-4-.
What are the key properties of (Z)-2-[methyl-(methylideneamino)amino]but-2-enal?
(Z)-2-[methyl-(methylideneamino)amino]but-2-enal has a molecular weight of 126.16 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[methyl-(methylideneamino)amino]but-2-enal is sourced from PubChem (CID 144718131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).