[2-methyl-2-(prop-2-enoylamino)propyl] prop-2-enoate

C10H15NO3 — CID 118885877

IUPAC[2-methyl-2-(prop-2-enoylamino)propyl] prop-2-enoate
SMILESC=CC(=O)NC(C)(C)COC(=O)C=C
InChIInChI=1S/C10H15NO3/c1-5-8(12)11-10(3,4)7-14-9(13)6-2/h5-6H,1-2,7H2,3-4H3,(H,11,12)
InChIKeyRWALZNLIKPUHBC-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.80
Rot. Bonds5

About [2-methyl-2-(prop-2-enoylamino)propyl] prop-2-enoate

[2-methyl-2-(prop-2-enoylamino)propyl] prop-2-enoate (PubChem CID 118885877) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is [2-methyl-2-(prop-2-enoylamino)propyl] prop-2-enoate.

Molecular Properties

Compound Name[2-methyl-2-(prop-2-enoylamino)propyl] prop-2-enoate
PubChem CID118885877
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name[2-methyl-2-(prop-2-enoylamino)propyl] prop-2-enoate
SMILESC=CC(=O)NC(C)(C)COC(=O)C=C
InChIInChI=1S/C10H15NO3/c1-5-8(12)11-10(3,4)7-14-9(13)6-2/h5-6H,1-2,7H2,3-4H3,(H,11,12)
InChIKeyRWALZNLIKPUHBC-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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Related Compounds

N-tert-butylprop-2-enamide;ethyl prop-2-enoate;prop-2-enoic acid
CID 88203744
N-tert-butylprop-2-enamide;ethyl prop-2-enoate
CID 146290784
N-tert-Butylprop-2-enimidic acid--ethyl 2-methylprop-2-enoate (1/1)
CID 6455531
potassium;N-tert-butylprop-2-enamide;ethyl prop-2-enoate;prop-2-enoate
CID 44147810
Ethyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 12477498
Ethyl 2-(prop-2-enoylamino)prop-2-enoate
CID 18413448
(2-Acetamido-2-methylpropyl) 2-methylprop-2-enoate
CID 18544200
N-(1-methoxy-2-methylpropan-2-yl)prop-2-enamide
CID 20081119
Prop-2-enyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 22033780
Methyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 43700007
Ethyl 4-(tert-butylamino)-4-oxobut-2-enoate
CID 53750547
2-Methylpropyl 4-(tert-butylamino)-4-oxobut-2-enoate
CID 54350542

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(prop-2-enoylamino)propyl] prop-2-enoate?
The IUPAC name of [2-methyl-2-(prop-2-enoylamino)propyl] prop-2-enoate (CID 118885877) is [2-methyl-2-(prop-2-enoylamino)propyl] prop-2-enoate.
What is the SMILES notation for [2-methyl-2-(prop-2-enoylamino)propyl] prop-2-enoate?
The canonical SMILES for [2-methyl-2-(prop-2-enoylamino)propyl] prop-2-enoate is C=CC(=O)NC(C)(C)COC(=O)C=C.
What is the InChIKey of [2-methyl-2-(prop-2-enoylamino)propyl] prop-2-enoate?
The InChIKey is RWALZNLIKPUHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-5-8(12)11-10(3,4)7-14-9(13)6-2/h5-6H,1-2,7H2,3-4H3,(H,11,12).
What are the key properties of [2-methyl-2-(prop-2-enoylamino)propyl] prop-2-enoate?
[2-methyl-2-(prop-2-enoylamino)propyl] 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 [2-methyl-2-(prop-2-enoylamino)propyl] prop-2-enoate is sourced from PubChem (CID 118885877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).