ethylideneurea;N-methylprop-2-enamide

C7H13N3O2 — CID 159487096

IUPACethylideneurea;N-methylprop-2-enamide
SMILESC=CC(=O)NC.CC=NC(N)=O
InChIInChI=1S/C4H7NO.C3H6N2O/c1-3-4(6)5-2;1-2-5-3(4)6/h3H,1H2,2H3,(H,5,6);2H,1H3,(H2,4,6)
InChIKeyLXSHGMFGXLKRGY-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.07
Rot. Bonds1

About ethylideneurea;N-methylprop-2-enamide

ethylideneurea;N-methylprop-2-enamide (PubChem CID 159487096) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is ethylideneurea;N-methylprop-2-enamide.

Molecular Properties

Compound Nameethylideneurea;N-methylprop-2-enamide
PubChem CID159487096
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Nameethylideneurea;N-methylprop-2-enamide
SMILESC=CC(=O)NC.CC=NC(N)=O
InChIInChI=1S/C4H7NO.C3H6N2O/c1-3-4(6)5-2;1-2-5-3(4)6/h3H,1H2,2H3,(H,5,6);2H,1H3,(H2,4,6)
InChIKeyLXSHGMFGXLKRGY-UHFFFAOYSA-N
XLogP0.07
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methanol;bis(N-methylprop-2-enamide)
CID 175170531
but-1-ene;N-methylprop-2-enamide;urea
CID 174740802
acetic acid;guanidine;N-methylprop-2-enamide
CID 174639401
methylphosphonic acid;N-methylprop-2-enamide
CID 160712581
ethylideneurea;sulfurous acid
CID 174973219
N-methylprop-2-enamide;prop-2-en-1-amine;hydrochloride
CID 174712757
but-1-ene;N-methylprop-2-enamide
CID 159446883
sodium;benzene;hydride;N-methylprop-2-enamide
CID 173390942
N,N-dimethylacetamide;N-methylprop-2-enamide
CID 174991436
2-hydroxyacetic acid;N-methylprop-2-enamide
CID 87472265
N-[2-[[(E)-ethylidenecarbamoyl]amino]ethyl]prop-2-enamide
CID 141139350
diethylalumanylium;N-methylprop-2-enamide;chloride
CID 175303125

Frequently Asked Questions

What is the IUPAC name of ethylideneurea;N-methylprop-2-enamide?
The IUPAC name of ethylideneurea;N-methylprop-2-enamide (CID 159487096) is ethylideneurea;N-methylprop-2-enamide.
What is the SMILES notation for ethylideneurea;N-methylprop-2-enamide?
The canonical SMILES for ethylideneurea;N-methylprop-2-enamide is C=CC(=O)NC.CC=NC(N)=O.
What is the InChIKey of ethylideneurea;N-methylprop-2-enamide?
The InChIKey is LXSHGMFGXLKRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C3H6N2O/c1-3-4(6)5-2;1-2-5-3(4)6/h3H,1H2,2H3,(H,5,6);2H,1H3,(H2,4,6).
What are the key properties of ethylideneurea;N-methylprop-2-enamide?
ethylideneurea;N-methylprop-2-enamide has a molecular weight of 171.20 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylideneurea;N-methylprop-2-enamide is sourced from PubChem (CID 159487096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).