2-chloroimino-1-methylimidazolidin-4-one

C4H6ClN3O — CID 136683013

IUPAC2-chloroimino-1-methylimidazolidin-4-one
SMILESCN1CC(=O)NC1=NCl
InChIInChI=1S/C4H6ClN3O/c1-8-2-3(9)6-4(8)7-5/h2H2,1H3,(H,6,7,9)
InChIKeyDRYAGAKBBXCLIH-UHFFFAOYSA-N
MW147.56 g/mol
LogP-0.44
Rot. Bonds

About 2-chloroimino-1-methylimidazolidin-4-one

2-chloroimino-1-methylimidazolidin-4-one (PubChem CID 136683013) has the molecular formula C4H6ClN3O and a molecular weight of 147.56 g/mol. Its IUPAC name is 2-chloroimino-1-methylimidazolidin-4-one.

Molecular Properties

Compound Name2-chloroimino-1-methylimidazolidin-4-one
PubChem CID136683013
Molecular FormulaC4H6ClN3O
Molecular Weight147.56 g/mol
Exact Mass147.02
IUPAC Name2-chloroimino-1-methylimidazolidin-4-one
SMILESCN1CC(=O)NC1=NCl
InChIInChI=1S/C4H6ClN3O/c1-8-2-3(9)6-4(8)7-5/h2H2,1H3,(H,6,7,9)
InChIKeyDRYAGAKBBXCLIH-UHFFFAOYSA-N
XLogP-0.44
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.56
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-chloroimino-1-methylimidazolidin-4-one?
The IUPAC name of 2-chloroimino-1-methylimidazolidin-4-one (CID 136683013) is 2-chloroimino-1-methylimidazolidin-4-one.
What is the SMILES notation for 2-chloroimino-1-methylimidazolidin-4-one?
The canonical SMILES for 2-chloroimino-1-methylimidazolidin-4-one is CN1CC(=O)NC1=NCl.
What is the InChIKey of 2-chloroimino-1-methylimidazolidin-4-one?
The InChIKey is DRYAGAKBBXCLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClN3O/c1-8-2-3(9)6-4(8)7-5/h2H2,1H3,(H,6,7,9).
What are the key properties of 2-chloroimino-1-methylimidazolidin-4-one?
2-chloroimino-1-methylimidazolidin-4-one has a molecular weight of 147.56 g/mol, XLogP of -0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroimino-1-methylimidazolidin-4-one is sourced from PubChem (CID 136683013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).