N-but-1-enoxyformamide

C5H9NO2 — CID 54548473

IUPACN-but-1-enoxyformamide
SMILESCCC=CONC=O
InChIInChI=1S/C5H9NO2/c1-2-3-4-8-6-5-7/h3-5H,2H2,1H3,(H,6,7)
InChIKeyZIFULGWYYCTJEK-UHFFFAOYSA-N
MW115.13 g/mol
LogP0.59
Rot. Bonds4

About N-but-1-enoxyformamide

N-but-1-enoxyformamide (PubChem CID 54548473) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is N-but-1-enoxyformamide.

Molecular Properties

Compound NameN-but-1-enoxyformamide
PubChem CID54548473
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC NameN-but-1-enoxyformamide
SMILESCCC=CONC=O
InChIInChI=1S/C5H9NO2/c1-2-3-4-8-6-5-7/h3-5H,2H2,1H3,(H,6,7)
InChIKeyZIFULGWYYCTJEK-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-but-1-enoxyformamide?
The IUPAC name of N-but-1-enoxyformamide (CID 54548473) is N-but-1-enoxyformamide.
What is the SMILES notation for N-but-1-enoxyformamide?
The canonical SMILES for N-but-1-enoxyformamide is CCC=CONC=O.
What is the InChIKey of N-but-1-enoxyformamide?
The InChIKey is ZIFULGWYYCTJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-2-3-4-8-6-5-7/h3-5H,2H2,1H3,(H,6,7).
What are the key properties of N-but-1-enoxyformamide?
N-but-1-enoxyformamide has a molecular weight of 115.13 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-enoxyformamide is sourced from PubChem (CID 54548473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).