N-[1-(oxiran-2-ylmethoxy)butyl]prop-2-enamide

C10H17NO3 — CID 87225626

IUPACN-[1-(oxiran-2-ylmethoxy)butyl]prop-2-enamide
SMILESC=CC(=O)NC(CCC)OCC1CO1
InChIInChI=1S/C10H17NO3/c1-3-5-10(11-9(12)4-2)14-7-8-6-13-8/h4,8,10H,2-3,5-7H2,1H3,(H,11,12)
InChIKeyOQFBDDPREDWAEG-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.83
Rot. Bonds7

About N-[1-(oxiran-2-ylmethoxy)butyl]prop-2-enamide

N-[1-(oxiran-2-ylmethoxy)butyl]prop-2-enamide (PubChem CID 87225626) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-[1-(oxiran-2-ylmethoxy)butyl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(oxiran-2-ylmethoxy)butyl]prop-2-enamide
PubChem CID87225626
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC NameN-[1-(oxiran-2-ylmethoxy)butyl]prop-2-enamide
SMILESC=CC(=O)NC(CCC)OCC1CO1
InChIInChI=1S/C10H17NO3/c1-3-5-10(11-9(12)4-2)14-7-8-6-13-8/h4,8,10H,2-3,5-7H2,1H3,(H,11,12)
InChIKeyOQFBDDPREDWAEG-UHFFFAOYSA-N
XLogP0.83
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-[1-(oxiran-2-ylmethoxy)butyl]prop-2-enamide?
The IUPAC name of N-[1-(oxiran-2-ylmethoxy)butyl]prop-2-enamide (CID 87225626) is N-[1-(oxiran-2-ylmethoxy)butyl]prop-2-enamide.
What is the SMILES notation for N-[1-(oxiran-2-ylmethoxy)butyl]prop-2-enamide?
The canonical SMILES for N-[1-(oxiran-2-ylmethoxy)butyl]prop-2-enamide is C=CC(=O)NC(CCC)OCC1CO1.
What is the InChIKey of N-[1-(oxiran-2-ylmethoxy)butyl]prop-2-enamide?
The InChIKey is OQFBDDPREDWAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-5-10(11-9(12)4-2)14-7-8-6-13-8/h4,8,10H,2-3,5-7H2,1H3,(H,11,12).
What are the key properties of N-[1-(oxiran-2-ylmethoxy)butyl]prop-2-enamide?
N-[1-(oxiran-2-ylmethoxy)butyl]prop-2-enamide has a molecular weight of 199.25 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxiran-2-ylmethoxy)butyl]prop-2-enamide is sourced from PubChem (CID 87225626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).