N-[4-(oxiran-2-ylmethoxy)butyl]prop-2-enamide

C10H17NO3 — CID 18188383

IUPACN-[4-(oxiran-2-ylmethoxy)butyl]prop-2-enamide
SMILESC=CC(=O)NCCCCOCC1CO1
InChIInChI=1S/C10H17NO3/c1-2-10(12)11-5-3-4-6-13-7-9-8-14-9/h2,9H,1,3-8H2,(H,11,12)
InChIKeyBLIQQXSBYNKXAC-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.48
Rot. Bonds8

About N-[4-(oxiran-2-ylmethoxy)butyl]prop-2-enamide

N-[4-(oxiran-2-ylmethoxy)butyl]prop-2-enamide (PubChem CID 18188383) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-[4-(oxiran-2-ylmethoxy)butyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(oxiran-2-ylmethoxy)butyl]prop-2-enamide
PubChem CID18188383
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC NameN-[4-(oxiran-2-ylmethoxy)butyl]prop-2-enamide
SMILESC=CC(=O)NCCCCOCC1CO1
InChIInChI=1S/C10H17NO3/c1-2-10(12)11-5-3-4-6-13-7-9-8-14-9/h2,9H,1,3-8H2,(H,11,12)
InChIKeyBLIQQXSBYNKXAC-UHFFFAOYSA-N
XLogP0.48
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.48
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(oxiran-2-ylmethoxy)butyl]prop-2-enamide?
The IUPAC name of N-[4-(oxiran-2-ylmethoxy)butyl]prop-2-enamide (CID 18188383) is N-[4-(oxiran-2-ylmethoxy)butyl]prop-2-enamide.
What is the SMILES notation for N-[4-(oxiran-2-ylmethoxy)butyl]prop-2-enamide?
The canonical SMILES for N-[4-(oxiran-2-ylmethoxy)butyl]prop-2-enamide is C=CC(=O)NCCCCOCC1CO1.
What is the InChIKey of N-[4-(oxiran-2-ylmethoxy)butyl]prop-2-enamide?
The InChIKey is BLIQQXSBYNKXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-10(12)11-5-3-4-6-13-7-9-8-14-9/h2,9H,1,3-8H2,(H,11,12).
What are the key properties of N-[4-(oxiran-2-ylmethoxy)butyl]prop-2-enamide?
N-[4-(oxiran-2-ylmethoxy)butyl]prop-2-enamide has a molecular weight of 199.25 g/mol, XLogP of 0.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxiran-2-ylmethoxy)butyl]prop-2-enamide is sourced from PubChem (CID 18188383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).