1-(2,2-dihydroxyethylidene)-3-ethylideneurea

C5H8N2O3 — CID 141148966

IUPAC1-(2,2-dihydroxyethylidene)-3-ethylideneurea
SMILESCC=NC(=O)N=CC(O)O
InChIInChI=1S/C5H8N2O3/c1-2-6-5(10)7-3-4(8)9/h2-4,8-9H,1H3
InChIKeyGEVNHIMHRAHWDH-UHFFFAOYSA-N
MW144.13 g/mol
LogP-0.42
Rot. Bonds1

About 1-(2,2-dihydroxyethylidene)-3-ethylideneurea

1-(2,2-dihydroxyethylidene)-3-ethylideneurea (PubChem CID 141148966) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is 1-(2,2-dihydroxyethylidene)-3-ethylideneurea.

Molecular Properties

Compound Name1-(2,2-dihydroxyethylidene)-3-ethylideneurea
PubChem CID141148966
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name1-(2,2-dihydroxyethylidene)-3-ethylideneurea
SMILESCC=NC(=O)N=CC(O)O
InChIInChI=1S/C5H8N2O3/c1-2-6-5(10)7-3-4(8)9/h2-4,8-9H,1H3
InChIKeyGEVNHIMHRAHWDH-UHFFFAOYSA-N
XLogP-0.42
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-ethylidene-1,1-bis(1-hydroxyethyl)urea
CID 141038532
N-ethylideneacetamide
CID 21338179
1-amino-1-ethyl-3-ethylideneurea
CID 151956805
N-[N-(ethylidenecarbamoyl)-C-methylcarbonimidoyl]-2-methylprop-2-enamide
CID 174499070
ethylideneurea;sulfurous acid
CID 174973219
1-(1-aminoethyl)-1-ethenyl-3-ethylideneurea
CID 141047446
1-ethenyl-3-ethylideneurea
CID 140971164
acetic acid;1,1-diamino-3-ethylideneurea
CID 175316946
(Z)-2-(ethylideneamino)-3-(methylamino)prop-2-enamide
CID 130227471
N-[(E)-4-methylhex-2-en-2-yl]ethanimine
CID 90864591
2-(ethylideneamino)prop-2-enenitrile
CID 145493819
(2S)-2-(ethylideneamino)propanoic acid
CID 45086561

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dihydroxyethylidene)-3-ethylideneurea?
The IUPAC name of 1-(2,2-dihydroxyethylidene)-3-ethylideneurea (CID 141148966) is 1-(2,2-dihydroxyethylidene)-3-ethylideneurea.
What is the SMILES notation for 1-(2,2-dihydroxyethylidene)-3-ethylideneurea?
The canonical SMILES for 1-(2,2-dihydroxyethylidene)-3-ethylideneurea is CC=NC(=O)N=CC(O)O.
What is the InChIKey of 1-(2,2-dihydroxyethylidene)-3-ethylideneurea?
The InChIKey is GEVNHIMHRAHWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3/c1-2-6-5(10)7-3-4(8)9/h2-4,8-9H,1H3.
What are the key properties of 1-(2,2-dihydroxyethylidene)-3-ethylideneurea?
1-(2,2-dihydroxyethylidene)-3-ethylideneurea has a molecular weight of 144.13 g/mol, XLogP of -0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dihydroxyethylidene)-3-ethylideneurea is sourced from PubChem (CID 141148966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).