1,1-dimethylindene-2-carboxamide

C12H13NO — CID 174388236

IUPAC1,1-dimethylindene-2-carboxamide
SMILESCC1(C)C(C(N)=O)=Cc2ccccc21
InChIInChI=1S/C12H13NO/c1-12(2)9-6-4-3-5-8(9)7-10(12)11(13)14/h3-7H,1-2H3,(H2,13,14)
InChIKeyVOBPVXPXFNXAAP-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.85
Rot. Bonds1

About 1,1-dimethylindene-2-carboxamide

1,1-dimethylindene-2-carboxamide (PubChem CID 174388236) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1,1-dimethylindene-2-carboxamide.

Molecular Properties

Compound Name1,1-dimethylindene-2-carboxamide
PubChem CID174388236
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1,1-dimethylindene-2-carboxamide
SMILESCC1(C)C(C(N)=O)=Cc2ccccc21
InChIInChI=1S/C12H13NO/c1-12(2)9-6-4-3-5-8(9)7-10(12)11(13)14/h3-7H,1-2H3,(H2,13,14)
InChIKeyVOBPVXPXFNXAAP-UHFFFAOYSA-N
XLogP1.85
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylindene-2-carboxamide?
The IUPAC name of 1,1-dimethylindene-2-carboxamide (CID 174388236) is 1,1-dimethylindene-2-carboxamide.
What is the SMILES notation for 1,1-dimethylindene-2-carboxamide?
The canonical SMILES for 1,1-dimethylindene-2-carboxamide is CC1(C)C(C(N)=O)=Cc2ccccc21.
What is the InChIKey of 1,1-dimethylindene-2-carboxamide?
The InChIKey is VOBPVXPXFNXAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-12(2)9-6-4-3-5-8(9)7-10(12)11(13)14/h3-7H,1-2H3,(H2,13,14).
What are the key properties of 1,1-dimethylindene-2-carboxamide?
1,1-dimethylindene-2-carboxamide has a molecular weight of 187.24 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylindene-2-carboxamide is sourced from PubChem (CID 174388236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).