N-[(1E)-buta-1,3-dienyl]formamide

C5H7NO — CID 19067293

IUPACN-[(1E)-buta-1,3-dienyl]formamide
SMILESC=C/C=C/NC=O
InChIInChI=1S/C5H7NO/c1-2-3-4-6-5-7/h2-5H,1H2,(H,6,7)/b4-3+
InChIKeyNZGMXBADPHMBCL-ONEGZZNKSA-N
MW97.12 g/mol
LogP0.43
Rot. Bonds3

About N-[(1E)-buta-1,3-dienyl]formamide

N-[(1E)-buta-1,3-dienyl]formamide (PubChem CID 19067293) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is N-[(1E)-buta-1,3-dienyl]formamide.

Molecular Properties

Compound NameN-[(1E)-buta-1,3-dienyl]formamide
PubChem CID19067293
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC NameN-[(1E)-buta-1,3-dienyl]formamide
SMILESC=C/C=C/NC=O
InChIInChI=1S/C5H7NO/c1-2-3-4-6-5-7/h2-5H,1H2,(H,6,7)/b4-3+
InChIKeyNZGMXBADPHMBCL-ONEGZZNKSA-N
XLogP0.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1E)-buta-1,3-dienyl]formamide?
The IUPAC name of N-[(1E)-buta-1,3-dienyl]formamide (CID 19067293) is N-[(1E)-buta-1,3-dienyl]formamide.
What is the SMILES notation for N-[(1E)-buta-1,3-dienyl]formamide?
The canonical SMILES for N-[(1E)-buta-1,3-dienyl]formamide is C=C/C=C/NC=O.
What is the InChIKey of N-[(1E)-buta-1,3-dienyl]formamide?
The InChIKey is NZGMXBADPHMBCL-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h2-5H,1H2,(H,6,7)/b4-3+.
What are the key properties of N-[(1E)-buta-1,3-dienyl]formamide?
N-[(1E)-buta-1,3-dienyl]formamide has a molecular weight of 97.12 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-buta-1,3-dienyl]formamide is sourced from PubChem (CID 19067293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).