(Z)-1-ethoxy-2-(methylideneamino)ethenol

C5H9NO2 — CID 20753163

IUPAC(Z)-1-ethoxy-2-(methylideneamino)ethenol
SMILESC=N/C=C(/O)OCC
InChIInChI=1S/C5H9NO2/c1-3-8-5(7)4-6-2/h4,7H,2-3H2,1H3/b5-4-
InChIKeySMGUZYUPHKJCSQ-PLNGDYQASA-N
MW115.13 g/mol
LogP1.08
Rot. Bonds3

About (Z)-1-ethoxy-2-(methylideneamino)ethenol

(Z)-1-ethoxy-2-(methylideneamino)ethenol (PubChem CID 20753163) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (Z)-1-ethoxy-2-(methylideneamino)ethenol.

Molecular Properties

Compound Name(Z)-1-ethoxy-2-(methylideneamino)ethenol
PubChem CID20753163
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(Z)-1-ethoxy-2-(methylideneamino)ethenol
SMILESC=N/C=C(/O)OCC
InChIInChI=1S/C5H9NO2/c1-3-8-5(7)4-6-2/h4,7H,2-3H2,1H3/b5-4-
InChIKeySMGUZYUPHKJCSQ-PLNGDYQASA-N
XLogP1.08
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 51.08
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'}

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Related Compounds

1-ethoxy-2-(15N)isothiocyanatoethenol
CID 15966879
(1Z,5Z)-1,6-diethoxyhexa-1,5-diene-1,6-diol
CID 50897516
(2-ethoxy-2-hydroxyethenyl)-dimethylsulfanium
CID 76822814
copper(1+);1-ethoxyethenolate
CID 73187688
ethyl acetate;prop-2-enoic acid
CID 87362107
1-ethoxypent-1-ene-1,3-diol
CID 162291132
N-[(E)-2-fluorobut-1-enyl]methanimine
CID 134191875
1-ethoxy-2-nitroethenol
CID 58981274
2-diethoxyphosphoryl-1-ethoxyethenol
CID 15972171
ethyl 3-methyl-2-(methylideneamino)but-2-enoate
CID 45082132
chloroethene;ethyl acetate
CID 19771492
acetaldehyde;acetic acid;ethyl acetate
CID 158728597

Frequently Asked Questions

What is the IUPAC name of (Z)-1-ethoxy-2-(methylideneamino)ethenol?
The IUPAC name of (Z)-1-ethoxy-2-(methylideneamino)ethenol (CID 20753163) is (Z)-1-ethoxy-2-(methylideneamino)ethenol.
What is the SMILES notation for (Z)-1-ethoxy-2-(methylideneamino)ethenol?
The canonical SMILES for (Z)-1-ethoxy-2-(methylideneamino)ethenol is C=N/C=C(/O)OCC.
What is the InChIKey of (Z)-1-ethoxy-2-(methylideneamino)ethenol?
The InChIKey is SMGUZYUPHKJCSQ-PLNGDYQASA-N. The full InChI is InChI=1S/C5H9NO2/c1-3-8-5(7)4-6-2/h4,7H,2-3H2,1H3/b5-4-.
What are the key properties of (Z)-1-ethoxy-2-(methylideneamino)ethenol?
(Z)-1-ethoxy-2-(methylideneamino)ethenol has a molecular weight of 115.13 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-ethoxy-2-(methylideneamino)ethenol is sourced from PubChem (CID 20753163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).