2-(2-methylprop-2-enoylamino)ethyl prop-2-ynyl carbonate

C10H13NO4 — CID 19774710

IUPAC2-(2-methylprop-2-enoylamino)ethyl prop-2-ynyl carbonate
SMILESC#CCOC(=O)OCCNC(=O)C(=C)C
InChIInChI=1S/C10H13NO4/c1-4-6-14-10(13)15-7-5-11-9(12)8(2)3/h1H,2,5-7H2,3H3,(H,11,12)
InChIKeyHSUBFELNGZSUOF-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.47
Rot. Bonds5

About 2-(2-methylprop-2-enoylamino)ethyl prop-2-ynyl carbonate

2-(2-methylprop-2-enoylamino)ethyl prop-2-ynyl carbonate (PubChem CID 19774710) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoylamino)ethyl prop-2-ynyl carbonate.

Molecular Properties

Compound Name2-(2-methylprop-2-enoylamino)ethyl prop-2-ynyl carbonate
PubChem CID19774710
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2-(2-methylprop-2-enoylamino)ethyl prop-2-ynyl carbonate
SMILESC#CCOC(=O)OCCNC(=O)C(=C)C
InChIInChI=1S/C10H13NO4/c1-4-6-14-10(13)15-7-5-11-9(12)8(2)3/h1H,2,5-7H2,3H3,(H,11,12)
InChIKeyHSUBFELNGZSUOF-UHFFFAOYSA-N
XLogP0.47
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoylamino)ethyl prop-2-ynyl carbonate?
The IUPAC name of 2-(2-methylprop-2-enoylamino)ethyl prop-2-ynyl carbonate (CID 19774710) is 2-(2-methylprop-2-enoylamino)ethyl prop-2-ynyl carbonate.
What is the SMILES notation for 2-(2-methylprop-2-enoylamino)ethyl prop-2-ynyl carbonate?
The canonical SMILES for 2-(2-methylprop-2-enoylamino)ethyl prop-2-ynyl carbonate is C#CCOC(=O)OCCNC(=O)C(=C)C.
What is the InChIKey of 2-(2-methylprop-2-enoylamino)ethyl prop-2-ynyl carbonate?
The InChIKey is HSUBFELNGZSUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-4-6-14-10(13)15-7-5-11-9(12)8(2)3/h1H,2,5-7H2,3H3,(H,11,12).
What are the key properties of 2-(2-methylprop-2-enoylamino)ethyl prop-2-ynyl carbonate?
2-(2-methylprop-2-enoylamino)ethyl prop-2-ynyl carbonate has a molecular weight of 211.22 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoylamino)ethyl prop-2-ynyl carbonate is sourced from PubChem (CID 19774710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).