1-oxo-3-propan-2-ylindene-2-carboxamide

C13H13NO2 — CID 86254260

IUPAC1-oxo-3-propan-2-ylindene-2-carboxamide
SMILESCC(C)C1=C(C(N)=O)C(=O)c2ccccc21
InChIInChI=1S/C13H13NO2/c1-7(2)10-8-5-3-4-6-9(8)12(15)11(10)13(14)16/h3-7H,1-2H3,(H2,14,16)
InChIKeyPBEXQFKVUULABK-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.78
Rot. Bonds2

About 1-oxo-3-propan-2-ylindene-2-carboxamide

1-oxo-3-propan-2-ylindene-2-carboxamide (PubChem CID 86254260) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-oxo-3-propan-2-ylindene-2-carboxamide.

Molecular Properties

Compound Name1-oxo-3-propan-2-ylindene-2-carboxamide
PubChem CID86254260
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-oxo-3-propan-2-ylindene-2-carboxamide
SMILESCC(C)C1=C(C(N)=O)C(=O)c2ccccc21
InChIInChI=1S/C13H13NO2/c1-7(2)10-8-5-3-4-6-9(8)12(15)11(10)13(14)16/h3-7H,1-2H3,(H2,14,16)
InChIKeyPBEXQFKVUULABK-UHFFFAOYSA-N
XLogP1.78
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

N-(1-oxo-3-propan-2-ylinden-2-yl)acetamide
CID 54085843
anthracene-9,10-dione;carbamic acid
CID 70556478
2,3-diaminonaphthalene-1,4-dione
CID 4167268
anthracene-9,10-dione;prop-2-enamide
CID 67819663
ethane;bis(fluoren-9-one);methanol
CID 162250310
ethyl 1-hydroxy-3-oxoindene-2-carboxylate
CID 54678237
CID 158261979
CID 158261979
6-(1,3-dioxoinden-2-ylidene)-1-methylpyridine-3-carboxamide
CID 726433
anthracene-9,10-dione;carbonochloridic acid
CID 88712965
anthracene-9,10-dione;propane-1,2-diol
CID 174585361
benzamide;2,3-dimethylbutane
CID 162214835
1-hydroxy-4,4-dimethyl-3-oxonaphthalene-2-carboxamide
CID 141385097

Frequently Asked Questions

What is the IUPAC name of 1-oxo-3-propan-2-ylindene-2-carboxamide?
The IUPAC name of 1-oxo-3-propan-2-ylindene-2-carboxamide (CID 86254260) is 1-oxo-3-propan-2-ylindene-2-carboxamide.
What is the SMILES notation for 1-oxo-3-propan-2-ylindene-2-carboxamide?
The canonical SMILES for 1-oxo-3-propan-2-ylindene-2-carboxamide is CC(C)C1=C(C(N)=O)C(=O)c2ccccc21.
What is the InChIKey of 1-oxo-3-propan-2-ylindene-2-carboxamide?
The InChIKey is PBEXQFKVUULABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-7(2)10-8-5-3-4-6-9(8)12(15)11(10)13(14)16/h3-7H,1-2H3,(H2,14,16).
What are the key properties of 1-oxo-3-propan-2-ylindene-2-carboxamide?
1-oxo-3-propan-2-ylindene-2-carboxamide has a molecular weight of 215.25 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-3-propan-2-ylindene-2-carboxamide is sourced from PubChem (CID 86254260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).