2-amino-1-(2-methyl-2,3-dihydro-1H-inden-5-yl)propan-1-one

C13H17NO — CID 83832234

IUPAC2-amino-1-(2-methyl-2,3-dihydro-1H-inden-5-yl)propan-1-one
SMILESCC1Cc2ccc(C(=O)C(C)N)cc2C1
InChIInChI=1S/C13H17NO/c1-8-5-10-3-4-11(7-12(10)6-8)13(15)9(2)14/h3-4,7-9H,5-6,14H2,1-2H3
InChIKeyYGJPUMXLAJDVET-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.95
Rot. Bonds2

About 2-amino-1-(2-methyl-2,3-dihydro-1H-inden-5-yl)propan-1-one

2-amino-1-(2-methyl-2,3-dihydro-1H-inden-5-yl)propan-1-one (PubChem CID 83832234) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-amino-1-(2-methyl-2,3-dihydro-1H-inden-5-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-methyl-2,3-dihydro-1H-inden-5-yl)propan-1-one
PubChem CID83832234
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2-amino-1-(2-methyl-2,3-dihydro-1H-inden-5-yl)propan-1-one
SMILESCC1Cc2ccc(C(=O)C(C)N)cc2C1
InChIInChI=1S/C13H17NO/c1-8-5-10-3-4-11(7-12(10)6-8)13(15)9(2)14/h3-4,7-9H,5-6,14H2,1-2H3
InChIKeyYGJPUMXLAJDVET-UHFFFAOYSA-N
XLogP1.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-methyl-2,3-dihydro-1H-inden-5-yl)propan-1-one?
The IUPAC name of 2-amino-1-(2-methyl-2,3-dihydro-1H-inden-5-yl)propan-1-one (CID 83832234) is 2-amino-1-(2-methyl-2,3-dihydro-1H-inden-5-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(2-methyl-2,3-dihydro-1H-inden-5-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(2-methyl-2,3-dihydro-1H-inden-5-yl)propan-1-one is CC1Cc2ccc(C(=O)C(C)N)cc2C1.
What is the InChIKey of 2-amino-1-(2-methyl-2,3-dihydro-1H-inden-5-yl)propan-1-one?
The InChIKey is YGJPUMXLAJDVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-8-5-10-3-4-11(7-12(10)6-8)13(15)9(2)14/h3-4,7-9H,5-6,14H2,1-2H3.
What are the key properties of 2-amino-1-(2-methyl-2,3-dihydro-1H-inden-5-yl)propan-1-one?
2-amino-1-(2-methyl-2,3-dihydro-1H-inden-5-yl)propan-1-one has a molecular weight of 203.28 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-methyl-2,3-dihydro-1H-inden-5-yl)propan-1-one is sourced from PubChem (CID 83832234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).