N-[(2S)-5-ethyl-3-oxo-1,2-dihydroinden-2-yl]acetamide

C13H15NO2 — CID 134953463

IUPACN-[(2S)-5-ethyl-3-oxo-1,2-dihydroinden-2-yl]acetamide
SMILESCCc1ccc2c(c1)C(=O)[C@@H](NC(C)=O)C2
InChIInChI=1S/C13H15NO2/c1-3-9-4-5-10-7-12(14-8(2)15)13(16)11(10)6-9/h4-6,12H,3,7H2,1-2H3,(H,14,15)/t12-/m0/s1
InChIKeyCQZLQVPPOOYRQZ-LBPRGKRZSA-N
MW217.27 g/mol
LogP1.49
Rot. Bonds2

About N-[(2S)-5-ethyl-3-oxo-1,2-dihydroinden-2-yl]acetamide

N-[(2S)-5-ethyl-3-oxo-1,2-dihydroinden-2-yl]acetamide (PubChem CID 134953463) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-[(2S)-5-ethyl-3-oxo-1,2-dihydroinden-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-5-ethyl-3-oxo-1,2-dihydroinden-2-yl]acetamide
PubChem CID134953463
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC NameN-[(2S)-5-ethyl-3-oxo-1,2-dihydroinden-2-yl]acetamide
SMILESCCc1ccc2c(c1)C(=O)[C@@H](NC(C)=O)C2
InChIInChI=1S/C13H15NO2/c1-3-9-4-5-10-7-12(14-8(2)15)13(16)11(10)6-9/h4-6,12H,3,7H2,1-2H3,(H,14,15)/t12-/m0/s1
InChIKeyCQZLQVPPOOYRQZ-LBPRGKRZSA-N
XLogP1.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;6-ethyl-2-methyl-2,3-dihydroinden-1-one
CID 143747856
7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 84618710
(2E)-2-(7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid
CID 84626078
1-(7-ethyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 143342026
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetamide
CID 2753031
1-(7-ethyl-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 138536083
N-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 3155458
2-(7-ethyl-1-oxo-3,4-dihydroisoquinolin-2-yl)acetic acid
CID 82055331
2-bromo-6-ethyl-2-methyl-3H-inden-1-one
CID 174917020
2-(5-ethyl-2,3-dihydro-1H-inden-2-yl)acetic acid
CID 71174187
6-[(4-ethylphenyl)methoxy]-2-methyl-2,3-dihydroinden-1-one
CID 154192333
7-ethyl-3,4-dihydronaphthalene-1-carboxylic acid
CID 82076590

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-ethyl-3-oxo-1,2-dihydroinden-2-yl]acetamide?
The IUPAC name of N-[(2S)-5-ethyl-3-oxo-1,2-dihydroinden-2-yl]acetamide (CID 134953463) is N-[(2S)-5-ethyl-3-oxo-1,2-dihydroinden-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-5-ethyl-3-oxo-1,2-dihydroinden-2-yl]acetamide?
The canonical SMILES for N-[(2S)-5-ethyl-3-oxo-1,2-dihydroinden-2-yl]acetamide is CCc1ccc2c(c1)C(=O)[C@@H](NC(C)=O)C2.
What is the InChIKey of N-[(2S)-5-ethyl-3-oxo-1,2-dihydroinden-2-yl]acetamide?
The InChIKey is CQZLQVPPOOYRQZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-9-4-5-10-7-12(14-8(2)15)13(16)11(10)6-9/h4-6,12H,3,7H2,1-2H3,(H,14,15)/t12-/m0/s1.
What are the key properties of N-[(2S)-5-ethyl-3-oxo-1,2-dihydroinden-2-yl]acetamide?
N-[(2S)-5-ethyl-3-oxo-1,2-dihydroinden-2-yl]acetamide has a molecular weight of 217.27 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-ethyl-3-oxo-1,2-dihydroinden-2-yl]acetamide is sourced from PubChem (CID 134953463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).