(1R)-1-(2,3-dihydro-1H-inden-2-yl)-1-(methylamino)propan-2-one

C13H17NO — CID 59814447

IUPAC(1R)-1-(2,3-dihydro-1H-inden-2-yl)-1-(methylamino)propan-2-one
SMILESCN[C@@H](C(C)=O)C1Cc2ccccc2C1
InChIInChI=1S/C13H17NO/c1-9(15)13(14-2)12-7-10-5-3-4-6-11(10)8-12/h3-6,12-14H,7-8H2,1-2H3/t13-/m0/s1
InChIKeyRFUKWCZKRPUHCH-ZDUSSCGKSA-N
MW203.28 g/mol
LogP1.58
Rot. Bonds3

About (1R)-1-(2,3-dihydro-1H-inden-2-yl)-1-(methylamino)propan-2-one

(1R)-1-(2,3-dihydro-1H-inden-2-yl)-1-(methylamino)propan-2-one (PubChem CID 59814447) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (1R)-1-(2,3-dihydro-1H-inden-2-yl)-1-(methylamino)propan-2-one.

Molecular Properties

Compound Name(1R)-1-(2,3-dihydro-1H-inden-2-yl)-1-(methylamino)propan-2-one
PubChem CID59814447
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(1R)-1-(2,3-dihydro-1H-inden-2-yl)-1-(methylamino)propan-2-one
SMILESCN[C@@H](C(C)=O)C1Cc2ccccc2C1
InChIInChI=1S/C13H17NO/c1-9(15)13(14-2)12-7-10-5-3-4-6-11(10)8-12/h3-6,12-14H,7-8H2,1-2H3/t13-/m0/s1
InChIKeyRFUKWCZKRPUHCH-ZDUSSCGKSA-N
XLogP1.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,3-dihydro-1H-inden-2-yl)-1-(methylamino)propan-2-one?
The IUPAC name of (1R)-1-(2,3-dihydro-1H-inden-2-yl)-1-(methylamino)propan-2-one (CID 59814447) is (1R)-1-(2,3-dihydro-1H-inden-2-yl)-1-(methylamino)propan-2-one.
What is the SMILES notation for (1R)-1-(2,3-dihydro-1H-inden-2-yl)-1-(methylamino)propan-2-one?
The canonical SMILES for (1R)-1-(2,3-dihydro-1H-inden-2-yl)-1-(methylamino)propan-2-one is CN[C@@H](C(C)=O)C1Cc2ccccc2C1.
What is the InChIKey of (1R)-1-(2,3-dihydro-1H-inden-2-yl)-1-(methylamino)propan-2-one?
The InChIKey is RFUKWCZKRPUHCH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17NO/c1-9(15)13(14-2)12-7-10-5-3-4-6-11(10)8-12/h3-6,12-14H,7-8H2,1-2H3/t13-/m0/s1.
What are the key properties of (1R)-1-(2,3-dihydro-1H-inden-2-yl)-1-(methylamino)propan-2-one?
(1R)-1-(2,3-dihydro-1H-inden-2-yl)-1-(methylamino)propan-2-one has a molecular weight of 203.28 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,3-dihydro-1H-inden-2-yl)-1-(methylamino)propan-2-one is sourced from PubChem (CID 59814447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).