N-(1-iodo-2,3-dihydro-1H-inden-2-yl)formamide

C10H10INO — CID 134337122

IUPACN-(1-iodo-2,3-dihydro-1H-inden-2-yl)formamide
SMILESO=CNC1Cc2ccccc2C1I
InChIInChI=1S/C10H10INO/c11-10-8-4-2-1-3-7(8)5-9(10)12-6-13/h1-4,6,9-10H,5H2,(H,12,13)
InChIKeyOIGVCPXRSSQXDW-UHFFFAOYSA-N
MW287.10 g/mol
LogP1.83
Rot. Bonds2

About N-(1-iodo-2,3-dihydro-1H-inden-2-yl)formamide

N-(1-iodo-2,3-dihydro-1H-inden-2-yl)formamide (PubChem CID 134337122) has the molecular formula C10H10INO and a molecular weight of 287.10 g/mol. Its IUPAC name is N-(1-iodo-2,3-dihydro-1H-inden-2-yl)formamide.

Molecular Properties

Compound NameN-(1-iodo-2,3-dihydro-1H-inden-2-yl)formamide
PubChem CID134337122
Molecular FormulaC10H10INO
Molecular Weight287.10 g/mol
Exact Mass286.98
IUPAC NameN-(1-iodo-2,3-dihydro-1H-inden-2-yl)formamide
SMILESO=CNC1Cc2ccccc2C1I
InChIInChI=1S/C10H10INO/c11-10-8-4-2-1-3-7(8)5-9(10)12-6-13/h1-4,6,9-10H,5H2,(H,12,13)
InChIKeyOIGVCPXRSSQXDW-UHFFFAOYSA-N
XLogP1.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-iodo-2,3-dihydro-1H-inden-2-yl)formamide?
The IUPAC name of N-(1-iodo-2,3-dihydro-1H-inden-2-yl)formamide (CID 134337122) is N-(1-iodo-2,3-dihydro-1H-inden-2-yl)formamide.
What is the SMILES notation for N-(1-iodo-2,3-dihydro-1H-inden-2-yl)formamide?
The canonical SMILES for N-(1-iodo-2,3-dihydro-1H-inden-2-yl)formamide is O=CNC1Cc2ccccc2C1I.
What is the InChIKey of N-(1-iodo-2,3-dihydro-1H-inden-2-yl)formamide?
The InChIKey is OIGVCPXRSSQXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10INO/c11-10-8-4-2-1-3-7(8)5-9(10)12-6-13/h1-4,6,9-10H,5H2,(H,12,13).
What are the key properties of N-(1-iodo-2,3-dihydro-1H-inden-2-yl)formamide?
N-(1-iodo-2,3-dihydro-1H-inden-2-yl)formamide has a molecular weight of 287.10 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-iodo-2,3-dihydro-1H-inden-2-yl)formamide is sourced from PubChem (CID 134337122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).