N-prop-2-enoxypropanamide

C6H11NO2 — CID 71361810

IUPACN-prop-2-enoxypropanamide
SMILESC=CCONC(=O)CC
InChIInChI=1S/C6H11NO2/c1-3-5-9-7-6(8)4-2/h3H,1,4-5H2,2H3,(H,7,8)
InChIKeyOASPBCCTQXPUAW-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.63
Rot. Bonds4

About N-prop-2-enoxypropanamide

N-prop-2-enoxypropanamide (PubChem CID 71361810) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is N-prop-2-enoxypropanamide.

Molecular Properties

Compound NameN-prop-2-enoxypropanamide
PubChem CID71361810
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC NameN-prop-2-enoxypropanamide
SMILESC=CCONC(=O)CC
InChIInChI=1S/C6H11NO2/c1-3-5-9-7-6(8)4-2/h3H,1,4-5H2,2H3,(H,7,8)
InChIKeyOASPBCCTQXPUAW-UHFFFAOYSA-N
XLogP0.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-prop-2-enoxypropanamide?
The IUPAC name of N-prop-2-enoxypropanamide (CID 71361810) is N-prop-2-enoxypropanamide.
What is the SMILES notation for N-prop-2-enoxypropanamide?
The canonical SMILES for N-prop-2-enoxypropanamide is C=CCONC(=O)CC.
What is the InChIKey of N-prop-2-enoxypropanamide?
The InChIKey is OASPBCCTQXPUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-5-9-7-6(8)4-2/h3H,1,4-5H2,2H3,(H,7,8).
What are the key properties of N-prop-2-enoxypropanamide?
N-prop-2-enoxypropanamide has a molecular weight of 129.16 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enoxypropanamide is sourced from PubChem (CID 71361810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).