ethyl 2-[(2-methylprop-2-enoylamino)methyl]prop-2-enoate

C10H15NO3 — CID 141111649

IUPACethyl 2-[(2-methylprop-2-enoylamino)methyl]prop-2-enoate
SMILESC=C(C)C(=O)NCC(=C)C(=O)OCC
InChIInChI=1S/C10H15NO3/c1-5-14-10(13)8(4)6-11-9(12)7(2)3/h2,4-6H2,1,3H3,(H,11,12)
InChIKeyQIFQJJQZRWRZIU-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.80
Rot. Bonds5

About ethyl 2-[(2-methylprop-2-enoylamino)methyl]prop-2-enoate

ethyl 2-[(2-methylprop-2-enoylamino)methyl]prop-2-enoate (PubChem CID 141111649) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is ethyl 2-[(2-methylprop-2-enoylamino)methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[(2-methylprop-2-enoylamino)methyl]prop-2-enoate
PubChem CID141111649
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameethyl 2-[(2-methylprop-2-enoylamino)methyl]prop-2-enoate
SMILESC=C(C)C(=O)NCC(=C)C(=O)OCC
InChIInChI=1S/C10H15NO3/c1-5-14-10(13)8(4)6-11-9(12)7(2)3/h2,4-6H2,1,3H3,(H,11,12)
InChIKeyQIFQJJQZRWRZIU-UHFFFAOYSA-N
XLogP0.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methylprop-2-enoylamino)methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[(2-methylprop-2-enoylamino)methyl]prop-2-enoate (CID 141111649) is ethyl 2-[(2-methylprop-2-enoylamino)methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[(2-methylprop-2-enoylamino)methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[(2-methylprop-2-enoylamino)methyl]prop-2-enoate is C=C(C)C(=O)NCC(=C)C(=O)OCC.
What is the InChIKey of ethyl 2-[(2-methylprop-2-enoylamino)methyl]prop-2-enoate?
The InChIKey is QIFQJJQZRWRZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-5-14-10(13)8(4)6-11-9(12)7(2)3/h2,4-6H2,1,3H3,(H,11,12).
What are the key properties of ethyl 2-[(2-methylprop-2-enoylamino)methyl]prop-2-enoate?
ethyl 2-[(2-methylprop-2-enoylamino)methyl]prop-2-enoate has a molecular weight of 197.23 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methylprop-2-enoylamino)methyl]prop-2-enoate is sourced from PubChem (CID 141111649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).