5-iodospiro[3H-1-benzofuran-2,4'-piperidine]

C12H14INO — CID 13318076

IUPAC5-iodospiro[3H-1-benzofuran-2,4'-piperidine]
SMILESIc1ccc2c(c1)CC1(CCNCC1)O2
InChIInChI=1S/C12H14INO/c13-10-1-2-11-9(7-10)8-12(15-11)3-5-14-6-4-12/h1-2,7,14H,3-6,8H2
InChIKeyMOMCHFYUVYRWCE-UHFFFAOYSA-N
MW315.15 g/mol
LogP2.35
Rot. Bonds

About 5-iodospiro[3H-1-benzofuran-2,4'-piperidine]

5-iodospiro[3H-1-benzofuran-2,4'-piperidine] (PubChem CID 13318076) has the molecular formula C12H14INO and a molecular weight of 315.15 g/mol. Its IUPAC name is 5-iodospiro[3H-1-benzofuran-2,4'-piperidine].

Molecular Properties

Compound Name5-iodospiro[3H-1-benzofuran-2,4'-piperidine]
PubChem CID13318076
Molecular FormulaC12H14INO
Molecular Weight315.15 g/mol
Exact Mass315.01
IUPAC Name5-iodospiro[3H-1-benzofuran-2,4'-piperidine]
SMILESIc1ccc2c(c1)CC1(CCNCC1)O2
InChIInChI=1S/C12H14INO/c13-10-1-2-11-9(7-10)8-12(15-11)3-5-14-6-4-12/h1-2,7,14H,3-6,8H2
InChIKeyMOMCHFYUVYRWCE-UHFFFAOYSA-N
XLogP2.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.15
LogP ≤ 52.35
H-Bond Donors ≤ 51
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-iodospiro[3H-1-benzofuran-2,4'-piperidine]?
The IUPAC name of 5-iodospiro[3H-1-benzofuran-2,4'-piperidine] (CID 13318076) is 5-iodospiro[3H-1-benzofuran-2,4'-piperidine].
What is the SMILES notation for 5-iodospiro[3H-1-benzofuran-2,4'-piperidine]?
The canonical SMILES for 5-iodospiro[3H-1-benzofuran-2,4'-piperidine] is Ic1ccc2c(c1)CC1(CCNCC1)O2.
What is the InChIKey of 5-iodospiro[3H-1-benzofuran-2,4'-piperidine]?
The InChIKey is MOMCHFYUVYRWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INO/c13-10-1-2-11-9(7-10)8-12(15-11)3-5-14-6-4-12/h1-2,7,14H,3-6,8H2.
What are the key properties of 5-iodospiro[3H-1-benzofuran-2,4'-piperidine]?
5-iodospiro[3H-1-benzofuran-2,4'-piperidine] has a molecular weight of 315.15 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodospiro[3H-1-benzofuran-2,4'-piperidine] is sourced from PubChem (CID 13318076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).