(1S,2R)-1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,2-dicarboxamide

C13H16N2O2 — CID 10681080

IUPAC(1S,2R)-1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,2-dicarboxamide
SMILESCN(C)C(=O)[C@@H]1c2ccccc2C[C@H]1C(N)=O
InChIInChI=1S/C13H16N2O2/c1-15(2)13(17)11-9-6-4-3-5-8(9)7-10(11)12(14)16/h3-6,10-11H,7H2,1-2H3,(H2,14,16)/t10-,11-/m1/s1
InChIKeyUNLAKXNEZMTJLJ-GHMZBOCLSA-N
MW232.28 g/mol
LogP0.52
Rot. Bonds2

About (1S,2R)-1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,2-dicarboxamide

(1S,2R)-1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,2-dicarboxamide (PubChem CID 10681080) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is (1S,2R)-1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,2-dicarboxamide.

Molecular Properties

Compound Name(1S,2R)-1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,2-dicarboxamide
PubChem CID10681080
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name(1S,2R)-1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,2-dicarboxamide
SMILESCN(C)C(=O)[C@@H]1c2ccccc2C[C@H]1C(N)=O
InChIInChI=1S/C13H16N2O2/c1-15(2)13(17)11-9-6-4-3-5-8(9)7-10(11)12(14)16/h3-6,10-11H,7H2,1-2H3,(H2,14,16)/t10-,11-/m1/s1
InChIKeyUNLAKXNEZMTJLJ-GHMZBOCLSA-N
XLogP0.52
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-carbamoyl-2,3-dihydro-1H-indene-2-carboxylic acid
CID 91536565
2-N-methyl-2,3-dihydro-1H-indene-1,2-dicarboxamide
CID 68988883
2,3-dihydro-1H-indene-1,2-dicarboxylic acid
CID 21427203
CID 173274923
CID 173274923
tert-butyl-[(1S,2R)-1-carbamoyl-2,3-dihydro-1H-inden-2-yl]carbamic acid
CID 69235919
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029
(1R,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid
CID 70327463
(1S,2S)-2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 15696258
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66397141
N-(2-amino-2-hydroxyiminoethyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 77136038
2-[2-(3-methylbutanoyl)-2,3-dihydro-1H-inden-1-yl]-2-oxoacetaldehyde
CID 174478844
amino 1-methyl-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride
CID 114986785

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,2-dicarboxamide?
The IUPAC name of (1S,2R)-1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,2-dicarboxamide (CID 10681080) is (1S,2R)-1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,2-dicarboxamide.
What is the SMILES notation for (1S,2R)-1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,2-dicarboxamide?
The canonical SMILES for (1S,2R)-1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,2-dicarboxamide is CN(C)C(=O)[C@@H]1c2ccccc2C[C@H]1C(N)=O.
What is the InChIKey of (1S,2R)-1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,2-dicarboxamide?
The InChIKey is UNLAKXNEZMTJLJ-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-15(2)13(17)11-9-6-4-3-5-8(9)7-10(11)12(14)16/h3-6,10-11H,7H2,1-2H3,(H2,14,16)/t10-,11-/m1/s1.
What are the key properties of (1S,2R)-1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,2-dicarboxamide?
(1S,2R)-1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,2-dicarboxamide has a molecular weight of 232.28 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,2-dicarboxamide is sourced from PubChem (CID 10681080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).