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

C10H15NO2 — CID 134502038

IUPACprop-2-enyl (Z)-4-(methylamino)-2-methylidenepent-3-enoate
SMILESC=CCOC(=O)C(=C)/C=C(/C)NC
InChIInChI=1S/C10H15NO2/c1-5-6-13-10(12)8(2)7-9(3)11-4/h5,7,11H,1-2,6H2,3-4H3/b9-7-
InChIKeyKHXYNMQXXDUELC-CLFYSBASSA-N
MW181.23 g/mol
LogP1.39
Rot. Bonds5

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

prop-2-enyl (Z)-4-(methylamino)-2-methylidenepent-3-enoate (PubChem CID 134502038) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is prop-2-enyl (Z)-4-(methylamino)-2-methylidenepent-3-enoate.

Molecular Properties

Compound Nameprop-2-enyl (Z)-4-(methylamino)-2-methylidenepent-3-enoate
PubChem CID134502038
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Nameprop-2-enyl (Z)-4-(methylamino)-2-methylidenepent-3-enoate
SMILESC=CCOC(=O)C(=C)/C=C(/C)NC
InChIInChI=1S/C10H15NO2/c1-5-6-13-10(12)8(2)7-9(3)11-4/h5,7,11H,1-2,6H2,3-4H3/b9-7-
InChIKeyKHXYNMQXXDUELC-CLFYSBASSA-N
XLogP1.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl (Z)-4-(methylamino)-2-methyliminopent-3-enoate
CID 137444605
prop-2-enyl 2-methylidenebutanoate
CID 12684713
methyl 2-hydroxyprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate
CID 175307353
2-[(Z)-3-(methylamino)but-2-enoyl]oxyethyl (Z)-3-(methylamino)but-2-enoate
CID 88715012
(Z)-N-methoxy-N-methyl-4-(methylamino)-2-methylidenepent-3-enamide
CID 163654328
prop-2-enyl 2-(acetyloxymethyl)prop-2-enoate
CID 87121209
ethoxyethane;prop-2-enyl 2-methylprop-2-enoate
CID 87074537
3-prop-2-enoxybut-3-en-2-one
CID 71774350
4-prop-2-enoxypent-3-en-2-one
CID 71367685
2-methylbut-2-enoic acid;prop-2-enyl 2-methylprop-2-enoate
CID 173460089
prop-2-enyl 2-iminopropanoate
CID 175216018
bis(hydroxymethyl) (E)-2-methyl-4-methylidenepent-2-enedioate
CID 178067121

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (Z)-4-(methylamino)-2-methylidenepent-3-enoate?
The IUPAC name of prop-2-enyl (Z)-4-(methylamino)-2-methylidenepent-3-enoate (CID 134502038) is prop-2-enyl (Z)-4-(methylamino)-2-methylidenepent-3-enoate.
What is the SMILES notation for prop-2-enyl (Z)-4-(methylamino)-2-methylidenepent-3-enoate?
The canonical SMILES for prop-2-enyl (Z)-4-(methylamino)-2-methylidenepent-3-enoate is C=CCOC(=O)C(=C)/C=C(/C)NC.
What is the InChIKey of prop-2-enyl (Z)-4-(methylamino)-2-methylidenepent-3-enoate?
The InChIKey is KHXYNMQXXDUELC-CLFYSBASSA-N. The full InChI is InChI=1S/C10H15NO2/c1-5-6-13-10(12)8(2)7-9(3)11-4/h5,7,11H,1-2,6H2,3-4H3/b9-7-.
What are the key properties of prop-2-enyl (Z)-4-(methylamino)-2-methylidenepent-3-enoate?
prop-2-enyl (Z)-4-(methylamino)-2-methylidenepent-3-enoate has a molecular weight of 181.23 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (Z)-4-(methylamino)-2-methylidenepent-3-enoate is sourced from PubChem (CID 134502038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).