2-(2-methylprop-2-enoylamino)ethyl prop-2-enoate

C9H13NO3 — CID 15312509

IUPAC2-(2-methylprop-2-enoylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)C(=C)C
InChIInChI=1S/C9H13NO3/c1-4-8(11)13-6-5-10-9(12)7(2)3/h4H,1-2,5-6H2,3H3,(H,10,12)
InChIKeyATWMSJBHAJDDJV-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.41
Rot. Bonds5

About 2-(2-methylprop-2-enoylamino)ethyl prop-2-enoate

2-(2-methylprop-2-enoylamino)ethyl prop-2-enoate (PubChem CID 15312509) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoylamino)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(2-methylprop-2-enoylamino)ethyl prop-2-enoate
PubChem CID15312509
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name2-(2-methylprop-2-enoylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)C(=C)C
InChIInChI=1S/C9H13NO3/c1-4-8(11)13-6-5-10-9(12)7(2)3/h4H,1-2,5-6H2,3H3,(H,10,12)
InChIKeyATWMSJBHAJDDJV-UHFFFAOYSA-N
XLogP0.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Prop-2-enimidic acid--2-(dimethylamino)ethyl 2-methylprop-2-enoate (1/1)
CID 160008
2-(Butylamino)ethyl 2-methylprop-2-enoate
CID 15774820
N-acryloyloxyethylacrylamide
CID 15084870
n,o-Bismethacryloyl ethanolamine
CID 15312507
3-Acetamidopropyl methacrylate
CID 15055173
2-(Ethylamino)ethyl 2-methylprop-2-enoate
CID 18325612
1-(2-Methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate
CID 18755069
2-Acetamidoethyl prop-2-enoate
CID 23089005
Acrylamide diethylaminoethyl methacrylate
CID 86733858
butyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide
CID 87343876
NIPAM methyl methacrylate
CID 87918426
2-Methacrylamidopropyl methacrylate
CID 90776151

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoylamino)ethyl prop-2-enoate?
The IUPAC name of 2-(2-methylprop-2-enoylamino)ethyl prop-2-enoate (CID 15312509) is 2-(2-methylprop-2-enoylamino)ethyl prop-2-enoate.
What is the SMILES notation for 2-(2-methylprop-2-enoylamino)ethyl prop-2-enoate?
The canonical SMILES for 2-(2-methylprop-2-enoylamino)ethyl prop-2-enoate is C=CC(=O)OCCNC(=O)C(=C)C.
What is the InChIKey of 2-(2-methylprop-2-enoylamino)ethyl prop-2-enoate?
The InChIKey is ATWMSJBHAJDDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-4-8(11)13-6-5-10-9(12)7(2)3/h4H,1-2,5-6H2,3H3,(H,10,12).
What are the key properties of 2-(2-methylprop-2-enoylamino)ethyl prop-2-enoate?
2-(2-methylprop-2-enoylamino)ethyl prop-2-enoate has a molecular weight of 183.21 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoylamino)ethyl prop-2-enoate is sourced from PubChem (CID 15312509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).