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

C7H10N2O2 — CID 87325841

IUPAC2-[(prop-2-enoylamino)methyl]prop-2-enamide
SMILESC=CC(=O)NCC(=C)C(N)=O
InChIInChI=1S/C7H10N2O2/c1-3-6(10)9-4-5(2)7(8)11/h3H,1-2,4H2,(H2,8,11)(H,9,10)
InChIKeySFXOESPTNDWCOY-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.67
Rot. Bonds4

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

2-[(prop-2-enoylamino)methyl]prop-2-enamide (PubChem CID 87325841) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-[(prop-2-enoylamino)methyl]prop-2-enamide.

Molecular Properties

Compound Name2-[(prop-2-enoylamino)methyl]prop-2-enamide
PubChem CID87325841
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-[(prop-2-enoylamino)methyl]prop-2-enamide
SMILESC=CC(=O)NCC(=C)C(N)=O
InChIInChI=1S/C7H10N2O2/c1-3-6(10)9-4-5(2)7(8)11/h3H,1-2,4H2,(H2,8,11)(H,9,10)
InChIKeySFXOESPTNDWCOY-UHFFFAOYSA-N
XLogP-0.67
TPSA72.19 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 ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-[(prop-2-enoylamino)methyl]prop-2-enamide?
The IUPAC name of 2-[(prop-2-enoylamino)methyl]prop-2-enamide (CID 87325841) is 2-[(prop-2-enoylamino)methyl]prop-2-enamide.
What is the SMILES notation for 2-[(prop-2-enoylamino)methyl]prop-2-enamide?
The canonical SMILES for 2-[(prop-2-enoylamino)methyl]prop-2-enamide is C=CC(=O)NCC(=C)C(N)=O.
What is the InChIKey of 2-[(prop-2-enoylamino)methyl]prop-2-enamide?
The InChIKey is SFXOESPTNDWCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-3-6(10)9-4-5(2)7(8)11/h3H,1-2,4H2,(H2,8,11)(H,9,10).
What are the key properties of 2-[(prop-2-enoylamino)methyl]prop-2-enamide?
2-[(prop-2-enoylamino)methyl]prop-2-enamide has a molecular weight of 154.17 g/mol, XLogP of -0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(prop-2-enoylamino)methyl]prop-2-enamide is sourced from PubChem (CID 87325841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).