N-(7-formyl-2,3-dihydro-1H-inden-5-yl)acetamide

C12H13NO2 — CID 84777244

IUPACN-(7-formyl-2,3-dihydro-1H-inden-5-yl)acetamide
SMILESCC(=O)Nc1cc(C=O)c2c(c1)CCC2
InChIInChI=1S/C12H13NO2/c1-8(15)13-11-5-9-3-2-4-12(9)10(6-11)7-14/h5-7H,2-4H2,1H3,(H,13,15)
InChIKeyXCFZORPCIZIVGV-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.95
Rot. Bonds2

About N-(7-formyl-2,3-dihydro-1H-inden-5-yl)acetamide

N-(7-formyl-2,3-dihydro-1H-inden-5-yl)acetamide (PubChem CID 84777244) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-(7-formyl-2,3-dihydro-1H-inden-5-yl)acetamide.

Molecular Properties

Compound NameN-(7-formyl-2,3-dihydro-1H-inden-5-yl)acetamide
PubChem CID84777244
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC NameN-(7-formyl-2,3-dihydro-1H-inden-5-yl)acetamide
SMILESCC(=O)Nc1cc(C=O)c2c(c1)CCC2
InChIInChI=1S/C12H13NO2/c1-8(15)13-11-5-9-3-2-4-12(9)10(6-11)7-14/h5-7H,2-4H2,1H3,(H,13,15)
InChIKeyXCFZORPCIZIVGV-UHFFFAOYSA-N
XLogP1.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(7-formyl-2,3-dihydro-1H-inden-5-yl)acetamide?
The IUPAC name of N-(7-formyl-2,3-dihydro-1H-inden-5-yl)acetamide (CID 84777244) is N-(7-formyl-2,3-dihydro-1H-inden-5-yl)acetamide.
What is the SMILES notation for N-(7-formyl-2,3-dihydro-1H-inden-5-yl)acetamide?
The canonical SMILES for N-(7-formyl-2,3-dihydro-1H-inden-5-yl)acetamide is CC(=O)Nc1cc(C=O)c2c(c1)CCC2.
What is the InChIKey of N-(7-formyl-2,3-dihydro-1H-inden-5-yl)acetamide?
The InChIKey is XCFZORPCIZIVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8(15)13-11-5-9-3-2-4-12(9)10(6-11)7-14/h5-7H,2-4H2,1H3,(H,13,15).
What are the key properties of N-(7-formyl-2,3-dihydro-1H-inden-5-yl)acetamide?
N-(7-formyl-2,3-dihydro-1H-inden-5-yl)acetamide has a molecular weight of 203.24 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-formyl-2,3-dihydro-1H-inden-5-yl)acetamide is sourced from PubChem (CID 84777244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).