(Z)-2-amino-3-(methylamino)prop-2-enal

C4H8N2O — CID 143200944

IUPAC(Z)-2-amino-3-(methylamino)prop-2-enal
SMILESCN/C=C(\N)C=O
InChIInChI=1S/C4H8N2O/c1-6-2-4(5)3-7/h2-3,6H,5H2,1H3/b4-2-
InChIKeyGINGUCFEMBFNPY-RQOWECAXSA-N
MW100.12 g/mol
LogP-0.80
Rot. Bonds2

About (Z)-2-amino-3-(methylamino)prop-2-enal

(Z)-2-amino-3-(methylamino)prop-2-enal (PubChem CID 143200944) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is (Z)-2-amino-3-(methylamino)prop-2-enal.

Molecular Properties

Compound Name(Z)-2-amino-3-(methylamino)prop-2-enal
PubChem CID143200944
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name(Z)-2-amino-3-(methylamino)prop-2-enal
SMILESCN/C=C(\N)C=O
InChIInChI=1S/C4H8N2O/c1-6-2-4(5)3-7/h2-3,6H,5H2,1H3/b4-2-
InChIKeyGINGUCFEMBFNPY-RQOWECAXSA-N
XLogP-0.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-(methylamino)prop-2-enal?
The IUPAC name of (Z)-2-amino-3-(methylamino)prop-2-enal (CID 143200944) is (Z)-2-amino-3-(methylamino)prop-2-enal.
What is the SMILES notation for (Z)-2-amino-3-(methylamino)prop-2-enal?
The canonical SMILES for (Z)-2-amino-3-(methylamino)prop-2-enal is CN/C=C(\N)C=O.
What is the InChIKey of (Z)-2-amino-3-(methylamino)prop-2-enal?
The InChIKey is GINGUCFEMBFNPY-RQOWECAXSA-N. The full InChI is InChI=1S/C4H8N2O/c1-6-2-4(5)3-7/h2-3,6H,5H2,1H3/b4-2-.
What are the key properties of (Z)-2-amino-3-(methylamino)prop-2-enal?
(Z)-2-amino-3-(methylamino)prop-2-enal has a molecular weight of 100.12 g/mol, XLogP of -0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-(methylamino)prop-2-enal is sourced from PubChem (CID 143200944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).