(3Z)-3-(iodomethylidene)-1-(2-methylpropyl)azetidin-2-one

C8H12INO — CID 101147659

IUPAC(3Z)-3-(iodomethylidene)-1-(2-methylpropyl)azetidin-2-one
SMILESCC(C)CN1C/C(=C/I)C1=O
InChIInChI=1S/C8H12INO/c1-6(2)4-10-5-7(3-9)8(10)11/h3,6H,4-5H2,1-2H3/b7-3-
InChIKeyCUINDKYXFMXADI-CLTKARDFSA-N
MW265.09 g/mol
LogP1.80
Rot. Bonds2

About (3Z)-3-(iodomethylidene)-1-(2-methylpropyl)azetidin-2-one

(3Z)-3-(iodomethylidene)-1-(2-methylpropyl)azetidin-2-one (PubChem CID 101147659) has the molecular formula C8H12INO and a molecular weight of 265.09 g/mol. Its IUPAC name is (3Z)-3-(iodomethylidene)-1-(2-methylpropyl)azetidin-2-one.

Molecular Properties

Compound Name(3Z)-3-(iodomethylidene)-1-(2-methylpropyl)azetidin-2-one
PubChem CID101147659
Molecular FormulaC8H12INO
Molecular Weight265.09 g/mol
Exact Mass265.00
IUPAC Name(3Z)-3-(iodomethylidene)-1-(2-methylpropyl)azetidin-2-one
SMILESCC(C)CN1C/C(=C/I)C1=O
InChIInChI=1S/C8H12INO/c1-6(2)4-10-5-7(3-9)8(10)11/h3,6H,4-5H2,1-2H3/b7-3-
InChIKeyCUINDKYXFMXADI-CLTKARDFSA-N
XLogP1.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.09
LogP ≤ 51.80
H-Bond Donors ≤ 50
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)-1-(2-methylpropyl)azetidin-2-one?
The IUPAC name of (3Z)-3-(iodomethylidene)-1-(2-methylpropyl)azetidin-2-one (CID 101147659) is (3Z)-3-(iodomethylidene)-1-(2-methylpropyl)azetidin-2-one.
What is the SMILES notation for (3Z)-3-(iodomethylidene)-1-(2-methylpropyl)azetidin-2-one?
The canonical SMILES for (3Z)-3-(iodomethylidene)-1-(2-methylpropyl)azetidin-2-one is CC(C)CN1C/C(=C/I)C1=O.
What is the InChIKey of (3Z)-3-(iodomethylidene)-1-(2-methylpropyl)azetidin-2-one?
The InChIKey is CUINDKYXFMXADI-CLTKARDFSA-N. The full InChI is InChI=1S/C8H12INO/c1-6(2)4-10-5-7(3-9)8(10)11/h3,6H,4-5H2,1-2H3/b7-3-.
What are the key properties of (3Z)-3-(iodomethylidene)-1-(2-methylpropyl)azetidin-2-one?
(3Z)-3-(iodomethylidene)-1-(2-methylpropyl)azetidin-2-one has a molecular weight of 265.09 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(iodomethylidene)-1-(2-methylpropyl)azetidin-2-one is sourced from PubChem (CID 101147659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).