N-(formamidomethyl)prop-2-enamide

C5H8N2O2 — CID 19959511

IUPACN-(formamidomethyl)prop-2-enamide
SMILESC=CC(=O)NCNC=O
InChIInChI=1S/C5H8N2O2/c1-2-5(9)7-3-6-4-8/h2,4H,1,3H2,(H,6,8)(H,7,9)
InChIKeyQXXGKXKKARGFTE-UHFFFAOYSA-N
MW128.13 g/mol
LogP-1.01
Rot. Bonds4

About N-(formamidomethyl)prop-2-enamide

N-(formamidomethyl)prop-2-enamide (PubChem CID 19959511) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is N-(formamidomethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(formamidomethyl)prop-2-enamide
PubChem CID19959511
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC NameN-(formamidomethyl)prop-2-enamide
SMILESC=CC(=O)NCNC=O
InChIInChI=1S/C5H8N2O2/c1-2-5(9)7-3-6-4-8/h2,4H,1,3H2,(H,6,8)(H,7,9)
InChIKeyQXXGKXKKARGFTE-UHFFFAOYSA-N
XLogP-1.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

formic acid;N-[(prop-2-enoylamino)methyl]prop-2-enamide
CID 88793107
CID 173161904
CID 173161904
N-(sulfanylmethyl)prop-2-enamide
CID 21197466
ethene;N-(hydroxymethyl)prop-2-enamide
CID 88605914
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-[[[formamidomethylcarbamoyl(methyl)carbamoyl]amino]methyl]formamide
CID 58265222
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
methyl-tris(prop-2-enyl)azanium;N-[(prop-2-enoylamino)methyl]prop-2-enamide;chloride
CID 23434977
N-(2,2-dihydroxyethyl)prop-2-enamide
CID 22929468
ethenol;N-prop-2-enylprop-2-enamide
CID 88846304
N-ethylprop-2-enamide;N-methylmethanamine
CID 22381553
ethane;N-prop-2-enylprop-2-enamide
CID 142535548

Frequently Asked Questions

What is the IUPAC name of N-(formamidomethyl)prop-2-enamide?
The IUPAC name of N-(formamidomethyl)prop-2-enamide (CID 19959511) is N-(formamidomethyl)prop-2-enamide.
What is the SMILES notation for N-(formamidomethyl)prop-2-enamide?
The canonical SMILES for N-(formamidomethyl)prop-2-enamide is C=CC(=O)NCNC=O.
What is the InChIKey of N-(formamidomethyl)prop-2-enamide?
The InChIKey is QXXGKXKKARGFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-2-5(9)7-3-6-4-8/h2,4H,1,3H2,(H,6,8)(H,7,9).
What are the key properties of N-(formamidomethyl)prop-2-enamide?
N-(formamidomethyl)prop-2-enamide has a molecular weight of 128.13 g/mol, XLogP of -1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(formamidomethyl)prop-2-enamide is sourced from PubChem (CID 19959511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).