N-(1-ethenoxyethyl)formamide

C5H9NO2 — CID 88809766

IUPACN-(1-ethenoxyethyl)formamide
SMILESC=COC(C)NC=O
InChIInChI=1S/C5H9NO2/c1-3-8-5(2)6-4-7/h3-5H,1H2,2H3,(H,6,7)
InChIKeyVTKGEQGNMKAMDN-UHFFFAOYSA-N
MW115.13 g/mol
LogP0.24
Rot. Bonds4

About N-(1-ethenoxyethyl)formamide

N-(1-ethenoxyethyl)formamide (PubChem CID 88809766) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is N-(1-ethenoxyethyl)formamide.

Molecular Properties

Compound NameN-(1-ethenoxyethyl)formamide
PubChem CID88809766
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC NameN-(1-ethenoxyethyl)formamide
SMILESC=COC(C)NC=O
InChIInChI=1S/C5H9NO2/c1-3-8-5(2)6-4-7/h3-5H,1H2,2H3,(H,6,7)
InChIKeyVTKGEQGNMKAMDN-UHFFFAOYSA-N
XLogP0.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethenoxyethyl)formamide?
The IUPAC name of N-(1-ethenoxyethyl)formamide (CID 88809766) is N-(1-ethenoxyethyl)formamide.
What is the SMILES notation for N-(1-ethenoxyethyl)formamide?
The canonical SMILES for N-(1-ethenoxyethyl)formamide is C=COC(C)NC=O.
What is the InChIKey of N-(1-ethenoxyethyl)formamide?
The InChIKey is VTKGEQGNMKAMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-3-8-5(2)6-4-7/h3-5H,1H2,2H3,(H,6,7).
What are the key properties of N-(1-ethenoxyethyl)formamide?
N-(1-ethenoxyethyl)formamide has a molecular weight of 115.13 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethenoxyethyl)formamide is sourced from PubChem (CID 88809766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).