CID 177320103

C9H15INO- — CID 177320103

IUPAC—
SMILESCNCCCC1=C[I-]C=C(C)O1
InChIInChI=1S/C9H15INO/c1-8-6-10-7-9(12-8)4-3-5-11-2/h6-7,11H,3-5H2,1-2H3/q-1
InChIKeyTTZJCNOFUOKTEH-UHFFFAOYSA-N
MW280.13 g/mol
LogP-1.19
Rot. Bonds4

About CID 177320103

CID 177320103 (PubChem CID 177320103) has the molecular formula C9H15INO- and a molecular weight of 280.13 g/mol.

Molecular Properties

Compound NameCID 177320103
PubChem CID177320103
Molecular FormulaC9H15INO-
Molecular Weight280.13 g/mol
Exact Mass280.02
IUPAC Name—
SMILESCNCCCC1=C[I-]C=C(C)O1
InChIInChI=1S/C9H15INO/c1-8-6-10-7-9(12-8)4-3-5-11-2/h6-7,11H,3-5H2,1-2H3/q-1
InChIKeyTTZJCNOFUOKTEH-UHFFFAOYSA-N
XLogP-1.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 5-1.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 177320103?
The IUPAC name of CID 177320103 (CID 177320103) is not available.
What is the SMILES notation for CID 177320103?
The canonical SMILES for CID 177320103 is CNCCCC1=C[I-]C=C(C)O1.
What is the InChIKey of CID 177320103?
The InChIKey is TTZJCNOFUOKTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15INO/c1-8-6-10-7-9(12-8)4-3-5-11-2/h6-7,11H,3-5H2,1-2H3/q-1.
What are the key properties of CID 177320103?
CID 177320103 has a molecular weight of 280.13 g/mol, XLogP of -1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177320103 is sourced from PubChem (CID 177320103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).