N-(2-nitro-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide

C12H14N2O3 — CID 22992373

IUPACN-(2-nitro-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
SMILESCC(=O)Nc1c([N+](=O)[O-])ccc2c1CCCC2
InChIInChI=1S/C12H14N2O3/c1-8(15)13-12-10-5-3-2-4-9(10)6-7-11(12)14(16)17/h6-7H,2-5H2,1H3,(H,13,15)
InChIKeyQWMFLYBAEHSFLC-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.43
Rot. Bonds2

About N-(2-nitro-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide

N-(2-nitro-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 22992373) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is N-(2-nitro-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-nitro-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
PubChem CID22992373
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC NameN-(2-nitro-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
SMILESCC(=O)Nc1c([N+](=O)[O-])ccc2c1CCCC2
InChIInChI=1S/C12H14N2O3/c1-8(15)13-12-10-5-3-2-4-9(10)6-7-11(12)14(16)17/h6-7H,2-5H2,1H3,(H,13,15)
InChIKeyQWMFLYBAEHSFLC-UHFFFAOYSA-N
XLogP2.43
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.43
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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Frequently Asked Questions

What is the IUPAC name of N-(2-nitro-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of N-(2-nitro-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide (CID 22992373) is N-(2-nitro-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for N-(2-nitro-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for N-(2-nitro-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide is CC(=O)Nc1c([N+](=O)[O-])ccc2c1CCCC2.
What is the InChIKey of N-(2-nitro-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is QWMFLYBAEHSFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8(15)13-12-10-5-3-2-4-9(10)6-7-11(12)14(16)17/h6-7H,2-5H2,1H3,(H,13,15).
What are the key properties of N-(2-nitro-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
N-(2-nitro-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 234.25 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitro-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 22992373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).