[hex-5-enoyl(prop-2-enyl)amino] acetate

C11H17NO3 — CID 12710060

IUPAC[hex-5-enoyl(prop-2-enyl)amino] acetate
SMILESC=CCCCC(=O)N(CC=C)OC(C)=O
InChIInChI=1S/C11H17NO3/c1-4-6-7-8-11(14)12(9-5-2)15-10(3)13/h4-5H,1-2,6-9H2,3H3
InChIKeyBSHFOKDJFBLSHE-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.84
Rot. Bonds6

About [hex-5-enoyl(prop-2-enyl)amino] acetate

[hex-5-enoyl(prop-2-enyl)amino] acetate (PubChem CID 12710060) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is [hex-5-enoyl(prop-2-enyl)amino] acetate.

Molecular Properties

Compound Name[hex-5-enoyl(prop-2-enyl)amino] acetate
PubChem CID12710060
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name[hex-5-enoyl(prop-2-enyl)amino] acetate
SMILESC=CCCCC(=O)N(CC=C)OC(C)=O
InChIInChI=1S/C11H17NO3/c1-4-6-7-8-11(14)12(9-5-2)15-10(3)13/h4-5H,1-2,6-9H2,3H3
InChIKeyBSHFOKDJFBLSHE-UHFFFAOYSA-N
XLogP1.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [hex-5-enoyl(prop-2-enyl)amino] acetate?
The IUPAC name of [hex-5-enoyl(prop-2-enyl)amino] acetate (CID 12710060) is [hex-5-enoyl(prop-2-enyl)amino] acetate.
What is the SMILES notation for [hex-5-enoyl(prop-2-enyl)amino] acetate?
The canonical SMILES for [hex-5-enoyl(prop-2-enyl)amino] acetate is C=CCCCC(=O)N(CC=C)OC(C)=O.
What is the InChIKey of [hex-5-enoyl(prop-2-enyl)amino] acetate?
The InChIKey is BSHFOKDJFBLSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-4-6-7-8-11(14)12(9-5-2)15-10(3)13/h4-5H,1-2,6-9H2,3H3.
What are the key properties of [hex-5-enoyl(prop-2-enyl)amino] acetate?
[hex-5-enoyl(prop-2-enyl)amino] acetate has a molecular weight of 211.26 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [hex-5-enoyl(prop-2-enyl)amino] acetate is sourced from PubChem (CID 12710060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).