5-(iodomethylidene)-3-naphthalen-1-yloxolan-2-one

C15H11IO2 — CID 71411089

IUPAC5-(iodomethylidene)-3-naphthalen-1-yloxolan-2-one
SMILESO=C1OC(=CI)CC1c1cccc2ccccc12
InChIInChI=1S/C15H11IO2/c16-9-11-8-14(15(17)18-11)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,9,14H,8H2
InChIKeyRRJVLNVIHYFXJC-UHFFFAOYSA-N
MW350.15 g/mol
LogP4.15
Rot. Bonds1

About 5-(iodomethylidene)-3-naphthalen-1-yloxolan-2-one

5-(iodomethylidene)-3-naphthalen-1-yloxolan-2-one (PubChem CID 71411089) has the molecular formula C15H11IO2 and a molecular weight of 350.15 g/mol. Its IUPAC name is 5-(iodomethylidene)-3-naphthalen-1-yloxolan-2-one.

Molecular Properties

Compound Name5-(iodomethylidene)-3-naphthalen-1-yloxolan-2-one
PubChem CID71411089
Molecular FormulaC15H11IO2
Molecular Weight350.15 g/mol
Exact Mass349.98
IUPAC Name5-(iodomethylidene)-3-naphthalen-1-yloxolan-2-one
SMILESO=C1OC(=CI)CC1c1cccc2ccccc12
InChIInChI=1S/C15H11IO2/c16-9-11-8-14(15(17)18-11)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,9,14H,8H2
InChIKeyRRJVLNVIHYFXJC-UHFFFAOYSA-N
XLogP4.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.15
LogP ≤ 54.15
H-Bond Donors ≤ 50
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 5-(iodomethylidene)-3-naphthalen-1-yloxolan-2-one?
The IUPAC name of 5-(iodomethylidene)-3-naphthalen-1-yloxolan-2-one (CID 71411089) is 5-(iodomethylidene)-3-naphthalen-1-yloxolan-2-one.
What is the SMILES notation for 5-(iodomethylidene)-3-naphthalen-1-yloxolan-2-one?
The canonical SMILES for 5-(iodomethylidene)-3-naphthalen-1-yloxolan-2-one is O=C1OC(=CI)CC1c1cccc2ccccc12.
What is the InChIKey of 5-(iodomethylidene)-3-naphthalen-1-yloxolan-2-one?
The InChIKey is RRJVLNVIHYFXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11IO2/c16-9-11-8-14(15(17)18-11)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,9,14H,8H2.
What are the key properties of 5-(iodomethylidene)-3-naphthalen-1-yloxolan-2-one?
5-(iodomethylidene)-3-naphthalen-1-yloxolan-2-one has a molecular weight of 350.15 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(iodomethylidene)-3-naphthalen-1-yloxolan-2-one is sourced from PubChem (CID 71411089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).