3-(2-methylprop-2-enoylamino)propyl 2-methylprop-2-enoate

C11H17NO3 — CID 15055174

IUPAC3-(2-methylprop-2-enoylamino)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)NCCCOC(=O)C(=C)C
InChIInChI=1S/C11H17NO3/c1-8(2)10(13)12-6-5-7-15-11(14)9(3)4/h1,3,5-7H2,2,4H3,(H,12,13)
InChIKeyRMPQRUJPTWBUFQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.19
Rot. Bonds6

About 3-(2-methylprop-2-enoylamino)propyl 2-methylprop-2-enoate

3-(2-methylprop-2-enoylamino)propyl 2-methylprop-2-enoate (PubChem CID 15055174) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(2-methylprop-2-enoylamino)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-(2-methylprop-2-enoylamino)propyl 2-methylprop-2-enoate
PubChem CID15055174
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-(2-methylprop-2-enoylamino)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)NCCCOC(=O)C(=C)C
InChIInChI=1S/C11H17NO3/c1-8(2)10(13)12-6-5-7-15-11(14)9(3)4/h1,3,5-7H2,2,4H3,(H,12,13)
InChIKeyRMPQRUJPTWBUFQ-UHFFFAOYSA-N
XLogP1.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enoylamino)propyl 2-methylprop-2-enoate?
The IUPAC name of 3-(2-methylprop-2-enoylamino)propyl 2-methylprop-2-enoate (CID 15055174) is 3-(2-methylprop-2-enoylamino)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-(2-methylprop-2-enoylamino)propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-(2-methylprop-2-enoylamino)propyl 2-methylprop-2-enoate is C=C(C)C(=O)NCCCOC(=O)C(=C)C.
What is the InChIKey of 3-(2-methylprop-2-enoylamino)propyl 2-methylprop-2-enoate?
The InChIKey is RMPQRUJPTWBUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-8(2)10(13)12-6-5-7-15-11(14)9(3)4/h1,3,5-7H2,2,4H3,(H,12,13).
What are the key properties of 3-(2-methylprop-2-enoylamino)propyl 2-methylprop-2-enoate?
3-(2-methylprop-2-enoylamino)propyl 2-methylprop-2-enoate has a molecular weight of 211.26 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enoylamino)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 15055174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).