1,3-bis(2-methoxyethylidene)urea

C7H12N2O3 — CID 57096564

IUPAC1,3-bis(2-methoxyethylidene)urea
SMILESCOCC=NC(=O)N=CCOC
InChIInChI=1S/C7H12N2O3/c1-11-5-3-8-7(10)9-4-6-12-2/h3-4H,5-6H2,1-2H3
InChIKeyUGFPGUYQWFZYEH-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.54
Rot. Bonds4

About 1,3-bis(2-methoxyethylidene)urea

1,3-bis(2-methoxyethylidene)urea (PubChem CID 57096564) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 1,3-bis(2-methoxyethylidene)urea.

Molecular Properties

Compound Name1,3-bis(2-methoxyethylidene)urea
PubChem CID57096564
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name1,3-bis(2-methoxyethylidene)urea
SMILESCOCC=NC(=O)N=CCOC
InChIInChI=1S/C7H12N2O3/c1-11-5-3-8-7(10)9-4-6-12-2/h3-4H,5-6H2,1-2H3
InChIKeyUGFPGUYQWFZYEH-UHFFFAOYSA-N
XLogP0.54
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-methoxyethylidene)urea?
The IUPAC name of 1,3-bis(2-methoxyethylidene)urea (CID 57096564) is 1,3-bis(2-methoxyethylidene)urea.
What is the SMILES notation for 1,3-bis(2-methoxyethylidene)urea?
The canonical SMILES for 1,3-bis(2-methoxyethylidene)urea is COCC=NC(=O)N=CCOC.
What is the InChIKey of 1,3-bis(2-methoxyethylidene)urea?
The InChIKey is UGFPGUYQWFZYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-11-5-3-8-7(10)9-4-6-12-2/h3-4H,5-6H2,1-2H3.
What are the key properties of 1,3-bis(2-methoxyethylidene)urea?
1,3-bis(2-methoxyethylidene)urea has a molecular weight of 172.18 g/mol, XLogP of 0.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methoxyethylidene)urea is sourced from PubChem (CID 57096564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).