prop-2-enyl (Z)-4-(methylamino)-2-methyliminopent-3-enoate

C10H16N2O2 — CID 137444605

IUPACprop-2-enyl (Z)-4-(methylamino)-2-methyliminopent-3-enoate
SMILESC=CCOC(=O)C(/C=C(/C)NC)=N\C
InChIInChI=1S/C10H16N2O2/c1-5-6-14-10(13)9(12-4)7-8(2)11-3/h5,7,11H,1,6H2,2-4H3/b8-7-,12-9-
InChIKeyMLISHJAWEUIOTH-JNWHFCKMSA-N
MW196.25 g/mol
LogP0.91
Rot. Bonds5

About prop-2-enyl (Z)-4-(methylamino)-2-methyliminopent-3-enoate

prop-2-enyl (Z)-4-(methylamino)-2-methyliminopent-3-enoate (PubChem CID 137444605) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is prop-2-enyl (Z)-4-(methylamino)-2-methyliminopent-3-enoate.

Molecular Properties

Compound Nameprop-2-enyl (Z)-4-(methylamino)-2-methyliminopent-3-enoate
PubChem CID137444605
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Nameprop-2-enyl (Z)-4-(methylamino)-2-methyliminopent-3-enoate
SMILESC=CCOC(=O)C(/C=C(/C)NC)=N\C
InChIInChI=1S/C10H16N2O2/c1-5-6-14-10(13)9(12-4)7-8(2)11-3/h5,7,11H,1,6H2,2-4H3/b8-7-,12-9-
InChIKeyMLISHJAWEUIOTH-JNWHFCKMSA-N
XLogP0.91
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

prop-2-enyl (Z)-4-(methylamino)-2-methylidenepent-3-enoate
CID 134502038
ethyl 4-chloro-2-methyliminopent-3-enoate
CID 123813090
2-[(Z)-3-(methylamino)but-2-enoyl]oxyethyl (Z)-3-(methylamino)but-2-enoate
CID 88715012
4-prop-2-enoxypent-3-en-2-one
CID 71367685
prop-2-enyl 2-methylidenebutanoate
CID 12684713
methyl 2-hydroxyprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate
CID 175307353
prop-2-enyl 3-ethyliminobutanoate
CID 139895353
prop-2-enyl 2-iminopropanoate
CID 175216018
2-hydroxyethyl 2-methylprop-2-enoate;prop-2-enyl acetate
CID 175328029
hydroxy-oxo-[[(2-oxo-2-prop-2-enoxyacetyl)amino]methoxy]phosphanium
CID 88713817
2-oxo-2-prop-2-enoxyacetate
CID 18533281
prop-2-enyl 2-(acetyloxymethyl)prop-2-enoate
CID 87121209

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (Z)-4-(methylamino)-2-methyliminopent-3-enoate?
The IUPAC name of prop-2-enyl (Z)-4-(methylamino)-2-methyliminopent-3-enoate (CID 137444605) is prop-2-enyl (Z)-4-(methylamino)-2-methyliminopent-3-enoate.
What is the SMILES notation for prop-2-enyl (Z)-4-(methylamino)-2-methyliminopent-3-enoate?
The canonical SMILES for prop-2-enyl (Z)-4-(methylamino)-2-methyliminopent-3-enoate is C=CCOC(=O)C(/C=C(/C)NC)=N\C.
What is the InChIKey of prop-2-enyl (Z)-4-(methylamino)-2-methyliminopent-3-enoate?
The InChIKey is MLISHJAWEUIOTH-JNWHFCKMSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-5-6-14-10(13)9(12-4)7-8(2)11-3/h5,7,11H,1,6H2,2-4H3/b8-7-,12-9-.
What are the key properties of prop-2-enyl (Z)-4-(methylamino)-2-methyliminopent-3-enoate?
prop-2-enyl (Z)-4-(methylamino)-2-methyliminopent-3-enoate has a molecular weight of 196.25 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (Z)-4-(methylamino)-2-methyliminopent-3-enoate is sourced from PubChem (CID 137444605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).