N-ethenyl-N-prop-2-enylformamide

C6H9NO — CID 57465791

IUPACN-ethenyl-N-prop-2-enylformamide
SMILESC=CCN(C=C)C=O
InChIInChI=1S/C6H9NO/c1-3-5-7(4-2)6-8/h3-4,6H,1-2,5H2
InChIKeyTWSUQPAFJQOMDU-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.77
Rot. Bonds4

About N-ethenyl-N-prop-2-enylformamide

N-ethenyl-N-prop-2-enylformamide (PubChem CID 57465791) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is N-ethenyl-N-prop-2-enylformamide.

Molecular Properties

Compound NameN-ethenyl-N-prop-2-enylformamide
PubChem CID57465791
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC NameN-ethenyl-N-prop-2-enylformamide
SMILESC=CCN(C=C)C=O
InChIInChI=1S/C6H9NO/c1-3-5-7(4-2)6-8/h3-4,6H,1-2,5H2
InChIKeyTWSUQPAFJQOMDU-UHFFFAOYSA-N
XLogP0.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.77
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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Related Compounds

N,N-Diallylformamide
CID 246338
N-formylpyridine
CID 20481095
n-Methyl-n-prop-2-en-1-ylformamide
CID 249892
N-ethyl-N-prop-2-enylformamide
CID 535192
N-but-3-enyl-N-ethenylformamide
CID 45087245
2H-azete-1-carbaldehyde
CID 19607751
N-(2-methylprop-1-enyl)-N-prop-2-enylformamide
CID 21719035
Pyridine-1-carbaldehyde
CID 57258506
N-[(1E)-buta-1,3-dienyl]-N-methylformamide
CID 58812160
N-buta-1,3-dienyl-N-methylformamide
CID 72432277
1-methyl-2H-pyridin-1-ium-1-carbaldehyde chloride
CID 87264994
1-methyl-2H-pyridin-1-ium-1-carbaldehyde
CID 87264995

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-prop-2-enylformamide?
The IUPAC name of N-ethenyl-N-prop-2-enylformamide (CID 57465791) is N-ethenyl-N-prop-2-enylformamide.
What is the SMILES notation for N-ethenyl-N-prop-2-enylformamide?
The canonical SMILES for N-ethenyl-N-prop-2-enylformamide is C=CCN(C=C)C=O.
What is the InChIKey of N-ethenyl-N-prop-2-enylformamide?
The InChIKey is TWSUQPAFJQOMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-3-5-7(4-2)6-8/h3-4,6H,1-2,5H2.
What are the key properties of N-ethenyl-N-prop-2-enylformamide?
N-ethenyl-N-prop-2-enylformamide has a molecular weight of 111.14 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-prop-2-enylformamide is sourced from PubChem (CID 57465791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).