prop-2-enyl 2-(prop-2-enoxycarbonylamino)pentanoate

C12H19NO4 — CID 91722394

IUPACprop-2-enyl 2-(prop-2-enoxycarbonylamino)pentanoate
SMILESC=CCOC(=O)NC(CCC)C(=O)OCC=C
InChIInChI=1S/C12H19NO4/c1-4-7-10(11(14)16-8-5-2)13-12(15)17-9-6-3/h5-6,10H,2-4,7-9H2,1H3,(H,13,15)
InChIKeyAARSMYVFHVHAGU-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.80
Rot. Bonds8

About prop-2-enyl 2-(prop-2-enoxycarbonylamino)pentanoate

prop-2-enyl 2-(prop-2-enoxycarbonylamino)pentanoate (PubChem CID 91722394) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is prop-2-enyl 2-(prop-2-enoxycarbonylamino)pentanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-(prop-2-enoxycarbonylamino)pentanoate
PubChem CID91722394
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Nameprop-2-enyl 2-(prop-2-enoxycarbonylamino)pentanoate
SMILESC=CCOC(=O)NC(CCC)C(=O)OCC=C
InChIInChI=1S/C12H19NO4/c1-4-7-10(11(14)16-8-5-2)13-12(15)17-9-6-3/h5-6,10H,2-4,7-9H2,1H3,(H,13,15)
InChIKeyAARSMYVFHVHAGU-UHFFFAOYSA-N
XLogP1.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(prop-2-enoxycarbonylamino)pentanoate?
The IUPAC name of prop-2-enyl 2-(prop-2-enoxycarbonylamino)pentanoate (CID 91722394) is prop-2-enyl 2-(prop-2-enoxycarbonylamino)pentanoate.
What is the SMILES notation for prop-2-enyl 2-(prop-2-enoxycarbonylamino)pentanoate?
The canonical SMILES for prop-2-enyl 2-(prop-2-enoxycarbonylamino)pentanoate is C=CCOC(=O)NC(CCC)C(=O)OCC=C.
What is the InChIKey of prop-2-enyl 2-(prop-2-enoxycarbonylamino)pentanoate?
The InChIKey is AARSMYVFHVHAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-4-7-10(11(14)16-8-5-2)13-12(15)17-9-6-3/h5-6,10H,2-4,7-9H2,1H3,(H,13,15).
What are the key properties of prop-2-enyl 2-(prop-2-enoxycarbonylamino)pentanoate?
prop-2-enyl 2-(prop-2-enoxycarbonylamino)pentanoate has a molecular weight of 241.29 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(prop-2-enoxycarbonylamino)pentanoate is sourced from PubChem (CID 91722394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).