N-methoxy-N-prop-2-enylbut-3-enamide

C8H13NO2 — CID 134896787

IUPACN-methoxy-N-prop-2-enylbut-3-enamide
SMILESC=CCC(=O)N(CC=C)OC
InChIInChI=1S/C8H13NO2/c1-4-6-8(10)9(11-3)7-5-2/h4-5H,1-2,6-7H2,3H3
InChIKeyKXWVTVLWNWRWDE-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.14
Rot. Bonds5

About N-methoxy-N-prop-2-enylbut-3-enamide

N-methoxy-N-prop-2-enylbut-3-enamide (PubChem CID 134896787) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-methoxy-N-prop-2-enylbut-3-enamide.

Molecular Properties

Compound NameN-methoxy-N-prop-2-enylbut-3-enamide
PubChem CID134896787
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-methoxy-N-prop-2-enylbut-3-enamide
SMILESC=CCC(=O)N(CC=C)OC
InChIInChI=1S/C8H13NO2/c1-4-6-8(10)9(11-3)7-5-2/h4-5H,1-2,6-7H2,3H3
InChIKeyKXWVTVLWNWRWDE-UHFFFAOYSA-N
XLogP1.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-methoxy-N-prop-2-enylbut-3-enamide?
The IUPAC name of N-methoxy-N-prop-2-enylbut-3-enamide (CID 134896787) is N-methoxy-N-prop-2-enylbut-3-enamide.
What is the SMILES notation for N-methoxy-N-prop-2-enylbut-3-enamide?
The canonical SMILES for N-methoxy-N-prop-2-enylbut-3-enamide is C=CCC(=O)N(CC=C)OC.
What is the InChIKey of N-methoxy-N-prop-2-enylbut-3-enamide?
The InChIKey is KXWVTVLWNWRWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-4-6-8(10)9(11-3)7-5-2/h4-5H,1-2,6-7H2,3H3.
What are the key properties of N-methoxy-N-prop-2-enylbut-3-enamide?
N-methoxy-N-prop-2-enylbut-3-enamide has a molecular weight of 155.20 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-prop-2-enylbut-3-enamide is sourced from PubChem (CID 134896787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).