1-iodo-1,3-dimethyl-3-phosphanylurea

C3H8IN2OP — CID 143356978

IUPAC1-iodo-1,3-dimethyl-3-phosphanylurea
SMILESCN(P)C(=O)N(C)I
InChIInChI=1S/C3H8IN2OP/c1-5(4)3(7)6(2)8/h8H2,1-2H3
InChIKeyJNEKMGJMSHGOCU-UHFFFAOYSA-N
MW245.99 g/mol
LogP1.11
Rot. Bonds

About 1-iodo-1,3-dimethyl-3-phosphanylurea

1-iodo-1,3-dimethyl-3-phosphanylurea (PubChem CID 143356978) has the molecular formula C3H8IN2OP and a molecular weight of 245.99 g/mol. Its IUPAC name is 1-iodo-1,3-dimethyl-3-phosphanylurea.

Molecular Properties

Compound Name1-iodo-1,3-dimethyl-3-phosphanylurea
PubChem CID143356978
Molecular FormulaC3H8IN2OP
Molecular Weight245.99 g/mol
Exact Mass245.94
IUPAC Name1-iodo-1,3-dimethyl-3-phosphanylurea
SMILESCN(P)C(=O)N(C)I
InChIInChI=1S/C3H8IN2OP/c1-5(4)3(7)6(2)8/h8H2,1-2H3
InChIKeyJNEKMGJMSHGOCU-UHFFFAOYSA-N
XLogP1.11
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.99
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-1,3-dimethyl-3-phosphanylurea?
The IUPAC name of 1-iodo-1,3-dimethyl-3-phosphanylurea (CID 143356978) is 1-iodo-1,3-dimethyl-3-phosphanylurea.
What is the SMILES notation for 1-iodo-1,3-dimethyl-3-phosphanylurea?
The canonical SMILES for 1-iodo-1,3-dimethyl-3-phosphanylurea is CN(P)C(=O)N(C)I.
What is the InChIKey of 1-iodo-1,3-dimethyl-3-phosphanylurea?
The InChIKey is JNEKMGJMSHGOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8IN2OP/c1-5(4)3(7)6(2)8/h8H2,1-2H3.
What are the key properties of 1-iodo-1,3-dimethyl-3-phosphanylurea?
1-iodo-1,3-dimethyl-3-phosphanylurea has a molecular weight of 245.99 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-1,3-dimethyl-3-phosphanylurea is sourced from PubChem (CID 143356978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).