(3S)-3-[methyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2,3-dihydroinden-1-one

C20H21NO — CID 51003440

IUPAC(3S)-3-[methyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2,3-dihydroinden-1-one
SMILESCN([C@H]1CCc2ccccc2C1)[C@H]1CC(=O)c2ccccc21
InChIInChI=1S/C20H21NO/c1-21(16-11-10-14-6-2-3-7-15(14)12-16)19-13-20(22)18-9-5-4-8-17(18)19/h2-9,16,19H,10-13H2,1H3/t16-,19-/m0/s1
InChIKeyJDSSYTXEXBCUIC-LPHOPBHVSA-N
MW291.39 g/mol
LogP3.80
Rot. Bonds2

About (3S)-3-[methyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2,3-dihydroinden-1-one

(3S)-3-[methyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2,3-dihydroinden-1-one (PubChem CID 51003440) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is (3S)-3-[methyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(3S)-3-[methyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2,3-dihydroinden-1-one
PubChem CID51003440
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name(3S)-3-[methyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2,3-dihydroinden-1-one
SMILESCN([C@H]1CCc2ccccc2C1)[C@H]1CC(=O)c2ccccc21
InChIInChI=1S/C20H21NO/c1-21(16-11-10-14-6-2-3-7-15(14)12-16)19-13-20(22)18-9-5-4-8-17(18)19/h2-9,16,19H,10-13H2,1H3/t16-,19-/m0/s1
InChIKeyJDSSYTXEXBCUIC-LPHOPBHVSA-N
XLogP3.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[methyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2,3-dihydroinden-1-one?
The IUPAC name of (3S)-3-[methyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2,3-dihydroinden-1-one (CID 51003440) is (3S)-3-[methyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2,3-dihydroinden-1-one.
What is the SMILES notation for (3S)-3-[methyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2,3-dihydroinden-1-one?
The canonical SMILES for (3S)-3-[methyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2,3-dihydroinden-1-one is CN([C@H]1CCc2ccccc2C1)[C@H]1CC(=O)c2ccccc21.
What is the InChIKey of (3S)-3-[methyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2,3-dihydroinden-1-one?
The InChIKey is JDSSYTXEXBCUIC-LPHOPBHVSA-N. The full InChI is InChI=1S/C20H21NO/c1-21(16-11-10-14-6-2-3-7-15(14)12-16)19-13-20(22)18-9-5-4-8-17(18)19/h2-9,16,19H,10-13H2,1H3/t16-,19-/m0/s1.
What are the key properties of (3S)-3-[methyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2,3-dihydroinden-1-one?
(3S)-3-[methyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2,3-dihydroinden-1-one has a molecular weight of 291.39 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[methyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2,3-dihydroinden-1-one is sourced from PubChem (CID 51003440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).