3-(5-iodopentylidene)piperidin-2-one

C10H16INO — CID 71418242

IUPAC3-(5-iodopentylidene)piperidin-2-one
SMILESO=C1NCCCC1=CCCCCI
InChIInChI=1S/C10H16INO/c11-7-3-1-2-5-9-6-4-8-12-10(9)13/h5H,1-4,6-8H2,(H,12,13)
InChIKeyCPUIGTZOXWOTDF-UHFFFAOYSA-N
MW293.15 g/mol
LogP2.43
Rot. Bonds4

About 3-(5-iodopentylidene)piperidin-2-one

3-(5-iodopentylidene)piperidin-2-one (PubChem CID 71418242) has the molecular formula C10H16INO and a molecular weight of 293.15 g/mol. Its IUPAC name is 3-(5-iodopentylidene)piperidin-2-one.

Molecular Properties

Compound Name3-(5-iodopentylidene)piperidin-2-one
PubChem CID71418242
Molecular FormulaC10H16INO
Molecular Weight293.15 g/mol
Exact Mass293.03
IUPAC Name3-(5-iodopentylidene)piperidin-2-one
SMILESO=C1NCCCC1=CCCCCI
InChIInChI=1S/C10H16INO/c11-7-3-1-2-5-9-6-4-8-12-10(9)13/h5H,1-4,6-8H2,(H,12,13)
InChIKeyCPUIGTZOXWOTDF-UHFFFAOYSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 57358306
CID 71437910
CID 71437910
CID 89933038
CID 89933038
CID 90454229
CID 90454229
CID 123704288
CID 123704288
CID 123918790
CID 123918790
CID 123971081
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CID 124159550
CID 124159550

Frequently Asked Questions

What is the IUPAC name of 3-(5-iodopentylidene)piperidin-2-one?
The IUPAC name of 3-(5-iodopentylidene)piperidin-2-one (CID 71418242) is 3-(5-iodopentylidene)piperidin-2-one.
What is the SMILES notation for 3-(5-iodopentylidene)piperidin-2-one?
The canonical SMILES for 3-(5-iodopentylidene)piperidin-2-one is O=C1NCCCC1=CCCCCI.
What is the InChIKey of 3-(5-iodopentylidene)piperidin-2-one?
The InChIKey is CPUIGTZOXWOTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16INO/c11-7-3-1-2-5-9-6-4-8-12-10(9)13/h5H,1-4,6-8H2,(H,12,13).
What are the key properties of 3-(5-iodopentylidene)piperidin-2-one?
3-(5-iodopentylidene)piperidin-2-one has a molecular weight of 293.15 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-iodopentylidene)piperidin-2-one is sourced from PubChem (CID 71418242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).