(Z)-N-methyl-3-(methylideneamino)oxyprop-2-en-1-amine

C5H10N2O — CID 134365618

IUPAC(Z)-N-methyl-3-(methylideneamino)oxyprop-2-en-1-amine
SMILESC=NO/C=C\CNC
InChIInChI=1S/C5H10N2O/c1-6-4-3-5-8-7-2/h3,5-6H,2,4H2,1H3/b5-3-
InChIKeyQJEQXBNFZHFFFZ-HYXAFXHYSA-N
MW114.15 g/mol
LogP0.35
Rot. Bonds4

About (Z)-N-methyl-3-(methylideneamino)oxyprop-2-en-1-amine

(Z)-N-methyl-3-(methylideneamino)oxyprop-2-en-1-amine (PubChem CID 134365618) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is (Z)-N-methyl-3-(methylideneamino)oxyprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N-methyl-3-(methylideneamino)oxyprop-2-en-1-amine
PubChem CID134365618
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name(Z)-N-methyl-3-(methylideneamino)oxyprop-2-en-1-amine
SMILESC=NO/C=C\CNC
InChIInChI=1S/C5H10N2O/c1-6-4-3-5-8-7-2/h3,5-6H,2,4H2,1H3/b5-3-
InChIKeyQJEQXBNFZHFFFZ-HYXAFXHYSA-N
XLogP0.35
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_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)-N-methyl-3-(methylideneamino)oxyprop-2-en-1-amine?
The IUPAC name of (Z)-N-methyl-3-(methylideneamino)oxyprop-2-en-1-amine (CID 134365618) is (Z)-N-methyl-3-(methylideneamino)oxyprop-2-en-1-amine.
What is the SMILES notation for (Z)-N-methyl-3-(methylideneamino)oxyprop-2-en-1-amine?
The canonical SMILES for (Z)-N-methyl-3-(methylideneamino)oxyprop-2-en-1-amine is C=NO/C=C\CNC.
What is the InChIKey of (Z)-N-methyl-3-(methylideneamino)oxyprop-2-en-1-amine?
The InChIKey is QJEQXBNFZHFFFZ-HYXAFXHYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-6-4-3-5-8-7-2/h3,5-6H,2,4H2,1H3/b5-3-.
What are the key properties of (Z)-N-methyl-3-(methylideneamino)oxyprop-2-en-1-amine?
(Z)-N-methyl-3-(methylideneamino)oxyprop-2-en-1-amine has a molecular weight of 114.15 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-3-(methylideneamino)oxyprop-2-en-1-amine is sourced from PubChem (CID 134365618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).