2,2-dimethyl-1,3-dihydroindole-5-carboxamide

C11H14N2O — CID 174931902

IUPAC2,2-dimethyl-1,3-dihydroindole-5-carboxamide
SMILESCC1(C)Cc2cc(C(N)=O)ccc2N1
InChIInChI=1S/C11H14N2O/c1-11(2)6-8-5-7(10(12)14)3-4-9(8)13-11/h3-5,13H,6H2,1-2H3,(H2,12,14)
InChIKeySTUOCAAKXPHYSN-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.53
Rot. Bonds1

About 2,2-dimethyl-1,3-dihydroindole-5-carboxamide

2,2-dimethyl-1,3-dihydroindole-5-carboxamide (PubChem CID 174931902) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-1,3-dihydroindole-5-carboxamide
PubChem CID174931902
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2,2-dimethyl-1,3-dihydroindole-5-carboxamide
SMILESCC1(C)Cc2cc(C(N)=O)ccc2N1
InChIInChI=1S/C11H14N2O/c1-11(2)6-8-5-7(10(12)14)3-4-9(8)13-11/h3-5,13H,6H2,1-2H3,(H2,12,14)
InChIKeySTUOCAAKXPHYSN-UHFFFAOYSA-N
XLogP1.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-dihydroindole-5-carboxamide?
The IUPAC name of 2,2-dimethyl-1,3-dihydroindole-5-carboxamide (CID 174931902) is 2,2-dimethyl-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 2,2-dimethyl-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for 2,2-dimethyl-1,3-dihydroindole-5-carboxamide is CC1(C)Cc2cc(C(N)=O)ccc2N1.
What is the InChIKey of 2,2-dimethyl-1,3-dihydroindole-5-carboxamide?
The InChIKey is STUOCAAKXPHYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-11(2)6-8-5-7(10(12)14)3-4-9(8)13-11/h3-5,13H,6H2,1-2H3,(H2,12,14).
What are the key properties of 2,2-dimethyl-1,3-dihydroindole-5-carboxamide?
2,2-dimethyl-1,3-dihydroindole-5-carboxamide has a molecular weight of 190.25 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 174931902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).