molecular iodine;morpholine

C4H9I2NO — CID 11313835

IUPACmolecular iodine;morpholine
SMILESC1COCCN1.II
InChIInChI=1S/C4H9NO.I2/c1-3-6-4-2-5-1;1-2/h5H,1-4H2;
InChIKeyNNGAPYPRCPZJDC-UHFFFAOYSA-N
MW340.93 g/mol
LogP1.38
Rot. Bonds

About molecular iodine;morpholine

molecular iodine;morpholine (PubChem CID 11313835) has the molecular formula C4H9I2NO and a molecular weight of 340.93 g/mol. Its IUPAC name is molecular iodine;morpholine.

Molecular Properties

Compound Namemolecular iodine;morpholine
PubChem CID11313835
Molecular FormulaC4H9I2NO
Molecular Weight340.93 g/mol
Exact Mass340.88
IUPAC Namemolecular iodine;morpholine
SMILESC1COCCN1.II
InChIInChI=1S/C4H9NO.I2/c1-3-6-4-2-5-1;1-2/h5H,1-4H2;
InChIKeyNNGAPYPRCPZJDC-UHFFFAOYSA-N
XLogP1.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.93
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of molecular iodine;morpholine?
The IUPAC name of molecular iodine;morpholine (CID 11313835) is molecular iodine;morpholine.
What is the SMILES notation for molecular iodine;morpholine?
The canonical SMILES for molecular iodine;morpholine is C1COCCN1.II.
What is the InChIKey of molecular iodine;morpholine?
The InChIKey is NNGAPYPRCPZJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.I2/c1-3-6-4-2-5-1;1-2/h5H,1-4H2;.
What are the key properties of molecular iodine;morpholine?
molecular iodine;morpholine has a molecular weight of 340.93 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular iodine;morpholine is sourced from PubChem (CID 11313835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).