formic acid;N-[(prop-2-enoylamino)methyl]prop-2-enamide

C8H12N2O4 — CID 88793107

IUPACformic acid;N-[(prop-2-enoylamino)methyl]prop-2-enamide
SMILESC=CC(=O)NCNC(=O)C=C.O=CO
InChIInChI=1S/C7H10N2O2.CH2O2/c1-3-6(10)8-5-9-7(11)4-2;2-1-3/h3-4H,1-2,5H2,(H,8,10)(H,9,11);1H,(H,2,3)
InChIKeyRJNOPMJXIBTAQK-UHFFFAOYSA-N
MW200.19 g/mol
LogP-0.75
Rot. Bonds4

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

formic acid;N-[(prop-2-enoylamino)methyl]prop-2-enamide (PubChem CID 88793107) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is formic acid;N-[(prop-2-enoylamino)methyl]prop-2-enamide.

Molecular Properties

Compound Nameformic acid;N-[(prop-2-enoylamino)methyl]prop-2-enamide
PubChem CID88793107
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Nameformic acid;N-[(prop-2-enoylamino)methyl]prop-2-enamide
SMILESC=CC(=O)NCNC(=O)C=C.O=CO
InChIInChI=1S/C7H10N2O2.CH2O2/c1-3-6(10)8-5-9-7(11)4-2;2-1-3/h3-4H,1-2,5H2,(H,8,10)(H,9,11);1H,(H,2,3)
InChIKeyRJNOPMJXIBTAQK-UHFFFAOYSA-N
XLogP-0.75
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 173161904
CID 173161904
N-(formamidomethyl)prop-2-enamide
CID 19959511
formic acid;N-(2-methylpropyl)prop-2-enamide
CID 174936612
methyl-tris(prop-2-enyl)azanium;N-[(prop-2-enoylamino)methyl]prop-2-enamide;chloride
CID 23434977
ethenol;N-prop-2-enylprop-2-enamide
CID 88846304
ethene;N-(hydroxymethyl)prop-2-enamide
CID 88605914
N-(sulfanylmethyl)prop-2-enamide
CID 21197466
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
2,3-dimethyl-4-oxo-4-[(prop-2-enoylamino)methylamino]butanoic acid
CID 87157240
N-[(prop-2-enoylamino)methyl]benzamide
CID 46707282
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
N-(2,2-dihydroxyethyl)prop-2-enamide
CID 22929468

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[(prop-2-enoylamino)methyl]prop-2-enamide?
The IUPAC name of formic acid;N-[(prop-2-enoylamino)methyl]prop-2-enamide (CID 88793107) is formic acid;N-[(prop-2-enoylamino)methyl]prop-2-enamide.
What is the SMILES notation for formic acid;N-[(prop-2-enoylamino)methyl]prop-2-enamide?
The canonical SMILES for formic acid;N-[(prop-2-enoylamino)methyl]prop-2-enamide is C=CC(=O)NCNC(=O)C=C.O=CO.
What is the InChIKey of formic acid;N-[(prop-2-enoylamino)methyl]prop-2-enamide?
The InChIKey is RJNOPMJXIBTAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2.CH2O2/c1-3-6(10)8-5-9-7(11)4-2;2-1-3/h3-4H,1-2,5H2,(H,8,10)(H,9,11);1H,(H,2,3).
What are the key properties of formic acid;N-[(prop-2-enoylamino)methyl]prop-2-enamide?
formic acid;N-[(prop-2-enoylamino)methyl]prop-2-enamide has a molecular weight of 200.19 g/mol, XLogP of -0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[(prop-2-enoylamino)methyl]prop-2-enamide is sourced from PubChem (CID 88793107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).