2-cyano-N-prop-2-enoxypropanamide

C7H10N2O2 — CID 131228086

IUPAC2-cyano-N-prop-2-enoxypropanamide
SMILESC=CCONC(=O)C(C)C#N
InChIInChI=1S/C7H10N2O2/c1-3-4-11-9-7(10)6(2)5-8/h3,6H,1,4H2,2H3,(H,9,10)
InChIKeyBJTQRMKTULXPHK-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.38
Rot. Bonds4

About 2-cyano-N-prop-2-enoxypropanamide

2-cyano-N-prop-2-enoxypropanamide (PubChem CID 131228086) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-cyano-N-prop-2-enoxypropanamide.

Molecular Properties

Compound Name2-cyano-N-prop-2-enoxypropanamide
PubChem CID131228086
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-cyano-N-prop-2-enoxypropanamide
SMILESC=CCONC(=O)C(C)C#N
InChIInChI=1S/C7H10N2O2/c1-3-4-11-9-7(10)6(2)5-8/h3,6H,1,4H2,2H3,(H,9,10)
InChIKeyBJTQRMKTULXPHK-UHFFFAOYSA-N
XLogP0.38
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Prop-2-en-1-yl)oxy]propanamide
CID 71361810
2-methyl-N-prop-2-enoxypropanamide
CID 130921030

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-prop-2-enoxypropanamide?
The IUPAC name of 2-cyano-N-prop-2-enoxypropanamide (CID 131228086) is 2-cyano-N-prop-2-enoxypropanamide.
What is the SMILES notation for 2-cyano-N-prop-2-enoxypropanamide?
The canonical SMILES for 2-cyano-N-prop-2-enoxypropanamide is C=CCONC(=O)C(C)C#N.
What is the InChIKey of 2-cyano-N-prop-2-enoxypropanamide?
The InChIKey is BJTQRMKTULXPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-3-4-11-9-7(10)6(2)5-8/h3,6H,1,4H2,2H3,(H,9,10).
What are the key properties of 2-cyano-N-prop-2-enoxypropanamide?
2-cyano-N-prop-2-enoxypropanamide has a molecular weight of 154.17 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-prop-2-enoxypropanamide is sourced from PubChem (CID 131228086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).