N-ethyl-N-prop-2-enylformamide

C6H11NO — CID 535192

IUPACN-ethyl-N-prop-2-enylformamide
SMILESC=CCN(C=O)CC
InChIInChI=1S/C6H11NO/c1-3-5-7(4-2)6-8/h3,6H,1,4-5H2,2H3
InChIKeyMXSUPXUFGHLNEU-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.65
Rot. Bonds4

About N-ethyl-N-prop-2-enylformamide

N-ethyl-N-prop-2-enylformamide (PubChem CID 535192) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is N-ethyl-N-prop-2-enylformamide.

Molecular Properties

Compound NameN-ethyl-N-prop-2-enylformamide
PubChem CID535192
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC NameN-ethyl-N-prop-2-enylformamide
SMILESC=CCN(C=O)CC
InChIInChI=1S/C6H11NO/c1-3-5-7(4-2)6-8/h3,6H,1,4-5H2,2H3
InChIKeyMXSUPXUFGHLNEU-UHFFFAOYSA-N
XLogP0.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.65
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-ethyl-N-prop-2-enylformamide?
The IUPAC name of N-ethyl-N-prop-2-enylformamide (CID 535192) is N-ethyl-N-prop-2-enylformamide.
What is the SMILES notation for N-ethyl-N-prop-2-enylformamide?
The canonical SMILES for N-ethyl-N-prop-2-enylformamide is C=CCN(C=O)CC.
What is the InChIKey of N-ethyl-N-prop-2-enylformamide?
The InChIKey is MXSUPXUFGHLNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-3-5-7(4-2)6-8/h3,6H,1,4-5H2,2H3.
What are the key properties of N-ethyl-N-prop-2-enylformamide?
N-ethyl-N-prop-2-enylformamide has a molecular weight of 113.16 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-prop-2-enylformamide is sourced from PubChem (CID 535192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).