N-(2,3-dihydro-1H-inden-5-yl)-2-oxoacetamide

C11H11NO2 — CID 115165888

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-oxoacetamide
SMILESO=CC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C11H11NO2/c13-7-11(14)12-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H,12,14)
InChIKeyVUQHKFSUOBQIJU-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.31
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-5-yl)-2-oxoacetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-oxoacetamide (PubChem CID 115165888) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-oxoacetamide
PubChem CID115165888
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-oxoacetamide
SMILESO=CC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C11H11NO2/c13-7-11(14)12-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H,12,14)
InChIKeyVUQHKFSUOBQIJU-UHFFFAOYSA-N
XLogP1.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
N-(2,3-dihydro-1H-inden-5-yl)-2-sulfanylacetamide
CID 60650065
N-(2,3-dihydro-1H-inden-5-yl)-2-hydrazinyl-2-oxoacetamide
CID 43163947
3,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 107980005
1-(2,3-dihydro-1H-inden-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62095213
N-(2,3-dihydro-1H-inden-5-yl)formamide
CID 22034196
1-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylurea
CID 17250078
N-(2,3-dihydro-1H-inden-5-yl)-5-hydroxypentanamide
CID 79199175
1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylphenyl)urea
CID 17282136
3-(5-bromofuran-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)prop-2-enamide
CID 4811542
1-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea
CID 115192342
2-amino-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 24704164

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-oxoacetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-oxoacetamide (CID 115165888) is N-(2,3-dihydro-1H-inden-5-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-oxoacetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-oxoacetamide is O=CC(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-oxoacetamide?
The InChIKey is VUQHKFSUOBQIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c13-7-11(14)12-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H,12,14).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-oxoacetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-oxoacetamide has a molecular weight of 189.21 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-oxoacetamide is sourced from PubChem (CID 115165888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).