2,3-dihydro-1H-inden-2-yl-(5-methyl-2-nitrophenyl)methanone

C17H15NO3 — CID 106893088

IUPAC2,3-dihydro-1H-inden-2-yl-(5-methyl-2-nitrophenyl)methanone
SMILESCc1ccc([N+](=O)[O-])c(C(=O)C2Cc3ccccc3C2)c1
InChIInChI=1S/C17H15NO3/c1-11-6-7-16(18(20)21)15(8-11)17(19)14-9-12-4-2-3-5-13(12)10-14/h2-8,14H,9-10H2,1H3
InChIKeyRTSDVYCRTCXQSF-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.50
Rot. Bonds3

About 2,3-dihydro-1H-inden-2-yl-(5-methyl-2-nitrophenyl)methanone

2,3-dihydro-1H-inden-2-yl-(5-methyl-2-nitrophenyl)methanone (PubChem CID 106893088) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yl-(5-methyl-2-nitrophenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-2-yl-(5-methyl-2-nitrophenyl)methanone
PubChem CID106893088
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2,3-dihydro-1H-inden-2-yl-(5-methyl-2-nitrophenyl)methanone
SMILESCc1ccc([N+](=O)[O-])c(C(=O)C2Cc3ccccc3C2)c1
InChIInChI=1S/C17H15NO3/c1-11-6-7-16(18(20)21)15(8-11)17(19)14-9-12-4-2-3-5-13(12)10-14/h2-8,14H,9-10H2,1H3
InChIKeyRTSDVYCRTCXQSF-UHFFFAOYSA-N
XLogP3.50
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5-methyl-2-nitrophenyl)-pyrrolidin-1-ylmethanone
CID 65463039
N-cyclopentyl-5-methyl-2-nitrobenzamide
CID 65462834
(2-bromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107126828
1-(5-methyl-2-nitrophenyl)-2-(4-methylphenyl)ethanone
CID 65462224
3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanone
CID 65409325
N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-methyl-2-nitrobenzamide
CID 65460445
2-[methyl-(5-methyl-2-nitrobenzoyl)amino]acetic acid
CID 65461207
2-[cyclopropyl-(5-methyl-2-nitrobenzoyl)amino]acetic acid
CID 65462619
cyclohexyl-(2-nitrophenyl)methanone
CID 82116139
2,3-dihydro-1H-inden-2-yl-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106880824
1-(5-methyl-2-nitrobenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 120512896
N-(azetidin-3-yl)-N-ethyl-5-methyl-2-nitrobenzamide
CID 66182534

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-yl-(5-methyl-2-nitrophenyl)methanone?
The IUPAC name of 2,3-dihydro-1H-inden-2-yl-(5-methyl-2-nitrophenyl)methanone (CID 106893088) is 2,3-dihydro-1H-inden-2-yl-(5-methyl-2-nitrophenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-2-yl-(5-methyl-2-nitrophenyl)methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-2-yl-(5-methyl-2-nitrophenyl)methanone is Cc1ccc([N+](=O)[O-])c(C(=O)C2Cc3ccccc3C2)c1.
What is the InChIKey of 2,3-dihydro-1H-inden-2-yl-(5-methyl-2-nitrophenyl)methanone?
The InChIKey is RTSDVYCRTCXQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-11-6-7-16(18(20)21)15(8-11)17(19)14-9-12-4-2-3-5-13(12)10-14/h2-8,14H,9-10H2,1H3.
What are the key properties of 2,3-dihydro-1H-inden-2-yl-(5-methyl-2-nitrophenyl)methanone?
2,3-dihydro-1H-inden-2-yl-(5-methyl-2-nitrophenyl)methanone has a molecular weight of 281.31 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-2-yl-(5-methyl-2-nitrophenyl)methanone is sourced from PubChem (CID 106893088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).