N-but-3-enyl-N-ethenylformamide

C7H11NO — CID 45087245

IUPACN-but-3-enyl-N-ethenylformamide
SMILESC=CCCN(C=C)C=O
InChIInChI=1S/C7H11NO/c1-3-5-6-8(4-2)7-9/h3-4,7H,1-2,5-6H2
InChIKeyCIRSFMCPKHGVAI-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.16
Rot. Bonds5

About N-but-3-enyl-N-ethenylformamide

N-but-3-enyl-N-ethenylformamide (PubChem CID 45087245) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is N-but-3-enyl-N-ethenylformamide.

Molecular Properties

Compound NameN-but-3-enyl-N-ethenylformamide
PubChem CID45087245
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC NameN-but-3-enyl-N-ethenylformamide
SMILESC=CCCN(C=C)C=O
InChIInChI=1S/C7H11NO/c1-3-5-6-8(4-2)7-9/h3-4,7H,1-2,5-6H2
InChIKeyCIRSFMCPKHGVAI-UHFFFAOYSA-N
XLogP1.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-N-ethenylformamide?
The IUPAC name of N-but-3-enyl-N-ethenylformamide (CID 45087245) is N-but-3-enyl-N-ethenylformamide.
What is the SMILES notation for N-but-3-enyl-N-ethenylformamide?
The canonical SMILES for N-but-3-enyl-N-ethenylformamide is C=CCCN(C=C)C=O.
What is the InChIKey of N-but-3-enyl-N-ethenylformamide?
The InChIKey is CIRSFMCPKHGVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-3-5-6-8(4-2)7-9/h3-4,7H,1-2,5-6H2.
What are the key properties of N-but-3-enyl-N-ethenylformamide?
N-but-3-enyl-N-ethenylformamide has a molecular weight of 125.17 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-N-ethenylformamide is sourced from PubChem (CID 45087245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).