N-[(prop-2-enoylamino)methyl]prop-2-enamide

C7H10N2O2 — CID 8041

IUPACN-[(prop-2-enoylamino)methyl]prop-2-enamide
SMILESC=CC(=O)NCNC(=O)C=C
InChIInChI=1S/C7H10N2O2/c1-3-6(10)8-5-9-7(11)4-2/h3-4H,1-2,5H2,(H,8,10)(H,9,11)
InChIKeyZIUHHBKFKCYYJD-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.45
Rot. Bonds4

About N-[(prop-2-enoylamino)methyl]prop-2-enamide

N-[(prop-2-enoylamino)methyl]prop-2-enamide (PubChem CID 8041) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is N-[(prop-2-enoylamino)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(prop-2-enoylamino)methyl]prop-2-enamide
PubChem CID8041
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC NameN-[(prop-2-enoylamino)methyl]prop-2-enamide
SMILESC=CC(=O)NCNC(=O)C=C
InChIInChI=1S/C7H10N2O2/c1-3-6(10)8-5-9-7(11)4-2/h3-4H,1-2,5H2,(H,8,10)(H,9,11)
InChIKeyZIUHHBKFKCYYJD-UHFFFAOYSA-N
XLogP-0.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(prop-2-enoylamino)methyl]prop-2-enamide?
The IUPAC name of N-[(prop-2-enoylamino)methyl]prop-2-enamide (CID 8041) is N-[(prop-2-enoylamino)methyl]prop-2-enamide.
What is the SMILES notation for N-[(prop-2-enoylamino)methyl]prop-2-enamide?
The canonical SMILES for N-[(prop-2-enoylamino)methyl]prop-2-enamide is C=CC(=O)NCNC(=O)C=C.
What is the InChIKey of N-[(prop-2-enoylamino)methyl]prop-2-enamide?
The InChIKey is ZIUHHBKFKCYYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-3-6(10)8-5-9-7(11)4-2/h3-4H,1-2,5H2,(H,8,10)(H,9,11).
What are the key properties of N-[(prop-2-enoylamino)methyl]prop-2-enamide?
N-[(prop-2-enoylamino)methyl]prop-2-enamide has a molecular weight of 154.17 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(prop-2-enoylamino)methyl]prop-2-enamide is sourced from PubChem (CID 8041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).