N-but-2-enyl-N-(oxiran-2-ylmethyl)formamide

C8H13NO2 — CID 173429137

IUPACN-but-2-enyl-N-(oxiran-2-ylmethyl)formamide
SMILESCC=CCN(C=O)CC1CO1
InChIInChI=1S/C8H13NO2/c1-2-3-4-9(7-10)5-8-6-11-8/h2-3,7-8H,4-6H2,1H3
InChIKeyYMWLGMQMGGGNPS-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.42
Rot. Bonds5

About N-but-2-enyl-N-(oxiran-2-ylmethyl)formamide

N-but-2-enyl-N-(oxiran-2-ylmethyl)formamide (PubChem CID 173429137) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-but-2-enyl-N-(oxiran-2-ylmethyl)formamide.

Molecular Properties

Compound NameN-but-2-enyl-N-(oxiran-2-ylmethyl)formamide
PubChem CID173429137
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-but-2-enyl-N-(oxiran-2-ylmethyl)formamide
SMILESCC=CCN(C=O)CC1CO1
InChIInChI=1S/C8H13NO2/c1-2-3-4-9(7-10)5-8-6-11-8/h2-3,7-8H,4-6H2,1H3
InChIKeyYMWLGMQMGGGNPS-UHFFFAOYSA-N
XLogP0.42
TPSA32.84 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 ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-but-2-enyl-N-(oxiran-2-ylmethyl)formamide?
The IUPAC name of N-but-2-enyl-N-(oxiran-2-ylmethyl)formamide (CID 173429137) is N-but-2-enyl-N-(oxiran-2-ylmethyl)formamide.
What is the SMILES notation for N-but-2-enyl-N-(oxiran-2-ylmethyl)formamide?
The canonical SMILES for N-but-2-enyl-N-(oxiran-2-ylmethyl)formamide is CC=CCN(C=O)CC1CO1.
What is the InChIKey of N-but-2-enyl-N-(oxiran-2-ylmethyl)formamide?
The InChIKey is YMWLGMQMGGGNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-3-4-9(7-10)5-8-6-11-8/h2-3,7-8H,4-6H2,1H3.
What are the key properties of N-but-2-enyl-N-(oxiran-2-ylmethyl)formamide?
N-but-2-enyl-N-(oxiran-2-ylmethyl)formamide has a molecular weight of 155.20 g/mol, XLogP of 0.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-enyl-N-(oxiran-2-ylmethyl)formamide is sourced from PubChem (CID 173429137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).