(3Z)-3-(iodomethylidene)pyrrolidin-2-one

C5H6INO — CID 130306799

IUPAC(3Z)-3-(iodomethylidene)pyrrolidin-2-one
SMILESO=C1NCC/C1=C/I
InChIInChI=1S/C5H6INO/c6-3-4-1-2-7-5(4)8/h3H,1-2H2,(H,7,8)/b4-3-
InChIKeyLZQZSQXUSCCARS-ARJAWSKDSA-N
MW223.01 g/mol
LogP0.83
Rot. Bonds

About (3Z)-3-(iodomethylidene)pyrrolidin-2-one

(3Z)-3-(iodomethylidene)pyrrolidin-2-one (PubChem CID 130306799) has the molecular formula C5H6INO and a molecular weight of 223.01 g/mol. Its IUPAC name is (3Z)-3-(iodomethylidene)pyrrolidin-2-one.

Molecular Properties

Compound Name(3Z)-3-(iodomethylidene)pyrrolidin-2-one
PubChem CID130306799
Molecular FormulaC5H6INO
Molecular Weight223.01 g/mol
Exact Mass222.95
IUPAC Name(3Z)-3-(iodomethylidene)pyrrolidin-2-one
SMILESO=C1NCC/C1=C/I
InChIInChI=1S/C5H6INO/c6-3-4-1-2-7-5(4)8/h3H,1-2H2,(H,7,8)/b4-3-
InChIKeyLZQZSQXUSCCARS-ARJAWSKDSA-N
XLogP0.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.01
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(iodomethylidene)pyrrolidin-2-one?
The IUPAC name of (3Z)-3-(iodomethylidene)pyrrolidin-2-one (CID 130306799) is (3Z)-3-(iodomethylidene)pyrrolidin-2-one.
What is the SMILES notation for (3Z)-3-(iodomethylidene)pyrrolidin-2-one?
The canonical SMILES for (3Z)-3-(iodomethylidene)pyrrolidin-2-one is O=C1NCC/C1=C/I.
What is the InChIKey of (3Z)-3-(iodomethylidene)pyrrolidin-2-one?
The InChIKey is LZQZSQXUSCCARS-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H6INO/c6-3-4-1-2-7-5(4)8/h3H,1-2H2,(H,7,8)/b4-3-.
What are the key properties of (3Z)-3-(iodomethylidene)pyrrolidin-2-one?
(3Z)-3-(iodomethylidene)pyrrolidin-2-one has a molecular weight of 223.01 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(iodomethylidene)pyrrolidin-2-one is sourced from PubChem (CID 130306799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).