6-(prop-2-enoylamino)hexyl acetate

C11H19NO3 — CID 15608863

IUPAC6-(prop-2-enoylamino)hexyl acetate
SMILESC=CC(=O)NCCCCCCOC(C)=O
InChIInChI=1S/C11H19NO3/c1-3-11(14)12-8-6-4-5-7-9-15-10(2)13/h3H,1,4-9H2,2H3,(H,12,14)
InChIKeyQCHSASOEQRVBHE-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.41
Rot. Bonds8

About 6-(prop-2-enoylamino)hexyl acetate

6-(prop-2-enoylamino)hexyl acetate (PubChem CID 15608863) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 6-(prop-2-enoylamino)hexyl acetate.

Molecular Properties

Compound Name6-(prop-2-enoylamino)hexyl acetate
PubChem CID15608863
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name6-(prop-2-enoylamino)hexyl acetate
SMILESC=CC(=O)NCCCCCCOC(C)=O
InChIInChI=1S/C11H19NO3/c1-3-11(14)12-8-6-4-5-7-9-15-10(2)13/h3H,1,4-9H2,2H3,(H,12,14)
InChIKeyQCHSASOEQRVBHE-UHFFFAOYSA-N
XLogP1.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.41
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 6-(prop-2-enoylamino)hexyl acetate?
The IUPAC name of 6-(prop-2-enoylamino)hexyl acetate (CID 15608863) is 6-(prop-2-enoylamino)hexyl acetate.
What is the SMILES notation for 6-(prop-2-enoylamino)hexyl acetate?
The canonical SMILES for 6-(prop-2-enoylamino)hexyl acetate is C=CC(=O)NCCCCCCOC(C)=O.
What is the InChIKey of 6-(prop-2-enoylamino)hexyl acetate?
The InChIKey is QCHSASOEQRVBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-11(14)12-8-6-4-5-7-9-15-10(2)13/h3H,1,4-9H2,2H3,(H,12,14).
What are the key properties of 6-(prop-2-enoylamino)hexyl acetate?
6-(prop-2-enoylamino)hexyl acetate has a molecular weight of 213.28 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(prop-2-enoylamino)hexyl acetate is sourced from PubChem (CID 15608863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).