2-(2-methylprop-2-enoylamino)propyl 2-methylprop-2-enoate

C11H17NO3 — CID 90776151

IUPAC2-(2-methylprop-2-enoylamino)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)NC(C)COC(=O)C(=C)C
InChIInChI=1S/C11H17NO3/c1-7(2)10(13)12-9(5)6-15-11(14)8(3)4/h9H,1,3,6H2,2,4-5H3,(H,12,13)
InChIKeyYKSFXOHXBIYMFR-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.19
Rot. Bonds5

About 2-(2-methylprop-2-enoylamino)propyl 2-methylprop-2-enoate

2-(2-methylprop-2-enoylamino)propyl 2-methylprop-2-enoate (PubChem CID 90776151) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoylamino)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2-methylprop-2-enoylamino)propyl 2-methylprop-2-enoate
PubChem CID90776151
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-(2-methylprop-2-enoylamino)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)NC(C)COC(=O)C(=C)C
InChIInChI=1S/C11H17NO3/c1-7(2)10(13)12-9(5)6-15-11(14)8(3)4/h9H,1,3,6H2,2,4-5H3,(H,12,13)
InChIKeyYKSFXOHXBIYMFR-UHFFFAOYSA-N
XLogP1.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.19
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 2-(2-methylprop-2-enoylamino)propyl 2-methylprop-2-enoate?
The IUPAC name of 2-(2-methylprop-2-enoylamino)propyl 2-methylprop-2-enoate (CID 90776151) is 2-(2-methylprop-2-enoylamino)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2-methylprop-2-enoylamino)propyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2-methylprop-2-enoylamino)propyl 2-methylprop-2-enoate is C=C(C)C(=O)NC(C)COC(=O)C(=C)C.
What is the InChIKey of 2-(2-methylprop-2-enoylamino)propyl 2-methylprop-2-enoate?
The InChIKey is YKSFXOHXBIYMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7(2)10(13)12-9(5)6-15-11(14)8(3)4/h9H,1,3,6H2,2,4-5H3,(H,12,13).
What are the key properties of 2-(2-methylprop-2-enoylamino)propyl 2-methylprop-2-enoate?
2-(2-methylprop-2-enoylamino)propyl 2-methylprop-2-enoate has a molecular weight of 211.26 g/mol, XLogP of 1.19, 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)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 90776151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).