N-(prop-2-enoylcarbamoyl)prop-2-enamide

C7H8N2O3 — CID 14274106

IUPACN-(prop-2-enoylcarbamoyl)prop-2-enamide
SMILESC=CC(=O)NC(=O)NC(=O)C=C
InChIInChI=1S/C7H8N2O3/c1-3-5(10)8-7(12)9-6(11)4-2/h3-4H,1-2H2,(H2,8,9,10,11,12)
InChIKeyLKGZVGKQDZDRGT-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.29
Rot. Bonds2

About N-(prop-2-enoylcarbamoyl)prop-2-enamide

N-(prop-2-enoylcarbamoyl)prop-2-enamide (PubChem CID 14274106) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is N-(prop-2-enoylcarbamoyl)prop-2-enamide.

Molecular Properties

Compound NameN-(prop-2-enoylcarbamoyl)prop-2-enamide
PubChem CID14274106
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC NameN-(prop-2-enoylcarbamoyl)prop-2-enamide
SMILESC=CC(=O)NC(=O)NC(=O)C=C
InChIInChI=1S/C7H8N2O3/c1-3-5(10)8-7(12)9-6(11)4-2/h3-4H,1-2H2,(H2,8,9,10,11,12)
InChIKeyLKGZVGKQDZDRGT-UHFFFAOYSA-N
XLogP-0.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(prop-2-enoylcarbamoyl)prop-2-enamide?
The IUPAC name of N-(prop-2-enoylcarbamoyl)prop-2-enamide (CID 14274106) is N-(prop-2-enoylcarbamoyl)prop-2-enamide.
What is the SMILES notation for N-(prop-2-enoylcarbamoyl)prop-2-enamide?
The canonical SMILES for N-(prop-2-enoylcarbamoyl)prop-2-enamide is C=CC(=O)NC(=O)NC(=O)C=C.
What is the InChIKey of N-(prop-2-enoylcarbamoyl)prop-2-enamide?
The InChIKey is LKGZVGKQDZDRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-3-5(10)8-7(12)9-6(11)4-2/h3-4H,1-2H2,(H2,8,9,10,11,12).
What are the key properties of N-(prop-2-enoylcarbamoyl)prop-2-enamide?
N-(prop-2-enoylcarbamoyl)prop-2-enamide has a molecular weight of 168.15 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(prop-2-enoylcarbamoyl)prop-2-enamide is sourced from PubChem (CID 14274106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).