2-propoxyethylideneurea

C6H12N2O2 — CID 175299579

IUPAC2-propoxyethylideneurea
SMILESCCCOCC=NC(N)=O
InChIInChI=1S/C6H12N2O2/c1-2-4-10-5-3-8-6(7)9/h3H,2,4-5H2,1H3,(H2,7,9)
InChIKeyQJHHSNJISIROSB-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.56
Rot. Bonds4

About 2-propoxyethylideneurea

2-propoxyethylideneurea (PubChem CID 175299579) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-propoxyethylideneurea.

Molecular Properties

Compound Name2-propoxyethylideneurea
PubChem CID175299579
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name2-propoxyethylideneurea
SMILESCCCOCC=NC(N)=O
InChIInChI=1S/C6H12N2O2/c1-2-4-10-5-3-8-6(7)9/h3H,2,4-5H2,1H3,(H2,7,9)
InChIKeyQJHHSNJISIROSB-UHFFFAOYSA-N
XLogP0.56
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-propoxyethylideneurea?
The IUPAC name of 2-propoxyethylideneurea (CID 175299579) is 2-propoxyethylideneurea.
What is the SMILES notation for 2-propoxyethylideneurea?
The canonical SMILES for 2-propoxyethylideneurea is CCCOCC=NC(N)=O.
What is the InChIKey of 2-propoxyethylideneurea?
The InChIKey is QJHHSNJISIROSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-2-4-10-5-3-8-6(7)9/h3H,2,4-5H2,1H3,(H2,7,9).
What are the key properties of 2-propoxyethylideneurea?
2-propoxyethylideneurea has a molecular weight of 144.17 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxyethylideneurea is sourced from PubChem (CID 175299579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).