N-[(E)-prop-1-enoxy]acetamide

C5H9NO2 — CID 163790570

IUPACN-[(E)-prop-1-enoxy]acetamide
SMILESC/C=C/ONC(C)=O
InChIInChI=1S/C5H9NO2/c1-3-4-8-6-5(2)7/h3-4H,1-2H3,(H,6,7)/b4-3+
InChIKeyMWIWKXKTMQTGON-ONEGZZNKSA-N
MW115.13 g/mol
LogP0.59
Rot. Bonds2

About N-[(E)-prop-1-enoxy]acetamide

N-[(E)-prop-1-enoxy]acetamide (PubChem CID 163790570) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is N-[(E)-prop-1-enoxy]acetamide.

Molecular Properties

Compound NameN-[(E)-prop-1-enoxy]acetamide
PubChem CID163790570
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC NameN-[(E)-prop-1-enoxy]acetamide
SMILESC/C=C/ONC(C)=O
InChIInChI=1S/C5H9NO2/c1-3-4-8-6-5(2)7/h3-4H,1-2H3,(H,6,7)/b4-3+
InChIKeyMWIWKXKTMQTGON-ONEGZZNKSA-N
XLogP0.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

acetic acid;bis(prop-1-enyl) carbonate
CID 174787806
[(E)-prop-1-enyl] acetate
CID 637917
lithium;bis(prop-1-enyl) carbonate;hydride
CID 174406437
(E)-prop-1-en-1-ol;[(E)-prop-1-enyl] acetate
CID 176895749
N-[(Z)-prop-1-enyl]acetamide
CID 5325885
methoxysilane;prop-1-enyl acetate
CID 174837390
diacetamido sulfate
CID 88749098
N-[2-[(E)-prop-1-enoxy]phenyl]acetamide
CID 22313764
acetohydrazide
CID 169432654
[(E)-prop-1-enoxy]boronic acid
CID 142694195
N-ethenoxy-2-methylprop-2-enamide
CID 102118163
4-prop-1-enoxybutan-2-one
CID 71435661

Frequently Asked Questions

What is the IUPAC name of N-[(E)-prop-1-enoxy]acetamide?
The IUPAC name of N-[(E)-prop-1-enoxy]acetamide (CID 163790570) is N-[(E)-prop-1-enoxy]acetamide.
What is the SMILES notation for N-[(E)-prop-1-enoxy]acetamide?
The canonical SMILES for N-[(E)-prop-1-enoxy]acetamide is C/C=C/ONC(C)=O.
What is the InChIKey of N-[(E)-prop-1-enoxy]acetamide?
The InChIKey is MWIWKXKTMQTGON-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H9NO2/c1-3-4-8-6-5(2)7/h3-4H,1-2H3,(H,6,7)/b4-3+.
What are the key properties of N-[(E)-prop-1-enoxy]acetamide?
N-[(E)-prop-1-enoxy]acetamide has a molecular weight of 115.13 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-prop-1-enoxy]acetamide is sourced from PubChem (CID 163790570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).