N-[(1S)-3-oxo-1,2-dihydroinden-1-yl]acetamide

C11H11NO2 — CID 93234150

IUPACN-[(1S)-3-oxo-1,2-dihydroinden-1-yl]acetamide
SMILESCC(=O)N[C@H]1CC(=O)c2ccccc21
InChIInChI=1S/C11H11NO2/c1-7(13)12-10-6-11(14)9-5-3-2-4-8(9)10/h2-5,10H,6H2,1H3,(H,12,13)/t10-/m0/s1
InChIKeyUWLRPXYSWRKGTA-JTQLQIEISA-N
MW189.21 g/mol
LogP1.45
Rot. Bonds1

About N-[(1S)-3-oxo-1,2-dihydroinden-1-yl]acetamide

N-[(1S)-3-oxo-1,2-dihydroinden-1-yl]acetamide (PubChem CID 93234150) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is N-[(1S)-3-oxo-1,2-dihydroinden-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-3-oxo-1,2-dihydroinden-1-yl]acetamide
PubChem CID93234150
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC NameN-[(1S)-3-oxo-1,2-dihydroinden-1-yl]acetamide
SMILESCC(=O)N[C@H]1CC(=O)c2ccccc21
InChIInChI=1S/C11H11NO2/c1-7(13)12-10-6-11(14)9-5-3-2-4-8(9)10/h2-5,10H,6H2,1H3,(H,12,13)/t10-/m0/s1
InChIKeyUWLRPXYSWRKGTA-JTQLQIEISA-N
XLogP1.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-oxo-1,2-dihydroinden-1-yl]acetamide?
The IUPAC name of N-[(1S)-3-oxo-1,2-dihydroinden-1-yl]acetamide (CID 93234150) is N-[(1S)-3-oxo-1,2-dihydroinden-1-yl]acetamide.
What is the SMILES notation for N-[(1S)-3-oxo-1,2-dihydroinden-1-yl]acetamide?
The canonical SMILES for N-[(1S)-3-oxo-1,2-dihydroinden-1-yl]acetamide is CC(=O)N[C@H]1CC(=O)c2ccccc21.
What is the InChIKey of N-[(1S)-3-oxo-1,2-dihydroinden-1-yl]acetamide?
The InChIKey is UWLRPXYSWRKGTA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H11NO2/c1-7(13)12-10-6-11(14)9-5-3-2-4-8(9)10/h2-5,10H,6H2,1H3,(H,12,13)/t10-/m0/s1.
What are the key properties of N-[(1S)-3-oxo-1,2-dihydroinden-1-yl]acetamide?
N-[(1S)-3-oxo-1,2-dihydroinden-1-yl]acetamide has a molecular weight of 189.21 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-oxo-1,2-dihydroinden-1-yl]acetamide is sourced from PubChem (CID 93234150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).