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

C13H15NO — CID 58473757

IUPAC1-(3H-inden-1-yl)-1-(methylamino)propan-2-one
SMILESCNC(C(C)=O)C1=CCc2ccccc21
InChIInChI=1S/C13H15NO/c1-9(15)13(14-2)12-8-7-10-5-3-4-6-11(10)12/h3-6,8,13-14H,7H2,1-2H3
InChIKeyHVGXAVXZXKRVIX-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.80
Rot. Bonds3

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

1-(3H-inden-1-yl)-1-(methylamino)propan-2-one (PubChem CID 58473757) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(3H-inden-1-yl)-1-(methylamino)propan-2-one.

Molecular Properties

Compound Name1-(3H-inden-1-yl)-1-(methylamino)propan-2-one
PubChem CID58473757
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-(3H-inden-1-yl)-1-(methylamino)propan-2-one
SMILESCNC(C(C)=O)C1=CCc2ccccc21
InChIInChI=1S/C13H15NO/c1-9(15)13(14-2)12-8-7-10-5-3-4-6-11(10)12/h3-6,8,13-14H,7H2,1-2H3
InChIKeyHVGXAVXZXKRVIX-UHFFFAOYSA-N
XLogP1.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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trimethylsilyl 3H-indene-1-carboxylate
CID 11413616
2-(3H-inden-1-yl)-N-methylethanamine
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(1R)-1-(2,3-dihydro-1H-inden-2-yl)-1-(methylamino)propan-2-one
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methyl (2R)-2-amino-3-(3H-inden-1-yl)propanoate
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Frequently Asked Questions

What is the IUPAC name of 1-(3H-inden-1-yl)-1-(methylamino)propan-2-one?
The IUPAC name of 1-(3H-inden-1-yl)-1-(methylamino)propan-2-one (CID 58473757) is 1-(3H-inden-1-yl)-1-(methylamino)propan-2-one.
What is the SMILES notation for 1-(3H-inden-1-yl)-1-(methylamino)propan-2-one?
The canonical SMILES for 1-(3H-inden-1-yl)-1-(methylamino)propan-2-one is CNC(C(C)=O)C1=CCc2ccccc21.
What is the InChIKey of 1-(3H-inden-1-yl)-1-(methylamino)propan-2-one?
The InChIKey is HVGXAVXZXKRVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-9(15)13(14-2)12-8-7-10-5-3-4-6-11(10)12/h3-6,8,13-14H,7H2,1-2H3.
What are the key properties of 1-(3H-inden-1-yl)-1-(methylamino)propan-2-one?
1-(3H-inden-1-yl)-1-(methylamino)propan-2-one has a molecular weight of 201.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-inden-1-yl)-1-(methylamino)propan-2-one is sourced from PubChem (CID 58473757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).