[(E)-1,1-dichloropropan-2-ylideneamino]urea

C4H7Cl2N3O — CID 119095605

IUPAC[(E)-1,1-dichloropropan-2-ylideneamino]urea
SMILESC/C(=N\NC(N)=O)C(Cl)Cl
InChIInChI=1S/C4H7Cl2N3O/c1-2(3(5)6)8-9-4(7)10/h3H,1H3,(H3,7,9,10)/b8-2+
InChIKeyDWNUKEDTOARMNB-KRXBUXKQSA-N
MW184.03 g/mol
LogP0.83
Rot. Bonds2

About [(E)-1,1-dichloropropan-2-ylideneamino]urea

[(E)-1,1-dichloropropan-2-ylideneamino]urea (PubChem CID 119095605) has the molecular formula C4H7Cl2N3O and a molecular weight of 184.03 g/mol. Its IUPAC name is [(E)-1,1-dichloropropan-2-ylideneamino]urea.

Molecular Properties

Compound Name[(E)-1,1-dichloropropan-2-ylideneamino]urea
PubChem CID119095605
Molecular FormulaC4H7Cl2N3O
Molecular Weight184.03 g/mol
Exact Mass183.00
IUPAC Name[(E)-1,1-dichloropropan-2-ylideneamino]urea
SMILESC/C(=N\NC(N)=O)C(Cl)Cl
InChIInChI=1S/C4H7Cl2N3O/c1-2(3(5)6)8-9-4(7)10/h3H,1H3,(H3,7,9,10)/b8-2+
InChIKeyDWNUKEDTOARMNB-KRXBUXKQSA-N
XLogP0.83
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.03
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-1,1-dichloropropan-2-ylideneamino]urea?
The IUPAC name of [(E)-1,1-dichloropropan-2-ylideneamino]urea (CID 119095605) is [(E)-1,1-dichloropropan-2-ylideneamino]urea.
What is the SMILES notation for [(E)-1,1-dichloropropan-2-ylideneamino]urea?
The canonical SMILES for [(E)-1,1-dichloropropan-2-ylideneamino]urea is C/C(=N\NC(N)=O)C(Cl)Cl.
What is the InChIKey of [(E)-1,1-dichloropropan-2-ylideneamino]urea?
The InChIKey is DWNUKEDTOARMNB-KRXBUXKQSA-N. The full InChI is InChI=1S/C4H7Cl2N3O/c1-2(3(5)6)8-9-4(7)10/h3H,1H3,(H3,7,9,10)/b8-2+.
What are the key properties of [(E)-1,1-dichloropropan-2-ylideneamino]urea?
[(E)-1,1-dichloropropan-2-ylideneamino]urea has a molecular weight of 184.03 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1,1-dichloropropan-2-ylideneamino]urea is sourced from PubChem (CID 119095605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).