2-(6-methyl-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide

C12H14N2O3 — CID 175837060

IUPAC2-(6-methyl-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide
SMILESCc1cc2c(c([N+](=O)[O-])c1CC(N)=O)CCC2
InChIInChI=1S/C12H14N2O3/c1-7-5-8-3-2-4-9(8)12(14(16)17)10(7)6-11(13)15/h5H,2-4,6H2,1H3,(H2,13,15)
InChIKeyXCVUSLQEWFBBRU-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.42
Rot. Bonds3

About 2-(6-methyl-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide

2-(6-methyl-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide (PubChem CID 175837060) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-(6-methyl-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide
PubChem CID175837060
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-(6-methyl-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide
SMILESCc1cc2c(c([N+](=O)[O-])c1CC(N)=O)CCC2
InChIInChI=1S/C12H14N2O3/c1-7-5-8-3-2-4-9(8)12(14(16)17)10(7)6-11(13)15/h5H,2-4,6H2,1H3,(H2,13,15)
InChIKeyXCVUSLQEWFBBRU-UHFFFAOYSA-N
XLogP1.42
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
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

1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)propan-2-one;1-(6-fluoro-4-nitro-2,3-dihydro-1H-inden-5-yl)propan-2-one
CID 167661575
N-(6-bromo-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide
CID 146380434
6-methyl-5-nitro-1,2,3,4-tetrahydronaphthalene
CID 12835978
5-bromo-4,6-dinitro-2,3-dihydro-1H-indene
CID 12887052
(4-nitro-1,2,3,5,6,7-hexahydro-s-indacen-2-yl)methanol
CID 162394396
8-nitrospiro[2,3,5,6-tetrahydro-1H-s-indacene-7,1'-cyclopropane]
CID 162394434
ethyl 2-[(4-nitro-2,3-dihydro-1H-inden-5-yl)oxy]butanoate
CID 70168547
2-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 142761664
2-(3-methyl-4-nitrophenyl)acetamide
CID 90937348
methyl 3-acetyloxy-4-nitro-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 540559
1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 143873260
N-(4-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)acetamide
CID 25140754

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide?
The IUPAC name of 2-(6-methyl-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide (CID 175837060) is 2-(6-methyl-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide.
What is the SMILES notation for 2-(6-methyl-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide?
The canonical SMILES for 2-(6-methyl-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide is Cc1cc2c(c([N+](=O)[O-])c1CC(N)=O)CCC2.
What is the InChIKey of 2-(6-methyl-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide?
The InChIKey is XCVUSLQEWFBBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7-5-8-3-2-4-9(8)12(14(16)17)10(7)6-11(13)15/h5H,2-4,6H2,1H3,(H2,13,15).
What are the key properties of 2-(6-methyl-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide?
2-(6-methyl-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide has a molecular weight of 234.25 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide is sourced from PubChem (CID 175837060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).