2-(2-nitropropyl)naphthalene

C13H13NO2 — CID 102503616

IUPAC2-(2-nitropropyl)naphthalene
SMILESCC(Cc1ccc2ccccc2c1)[N+](=O)[O-]
InChIInChI=1S/C13H13NO2/c1-10(14(15)16)8-11-6-7-12-4-2-3-5-13(12)9-11/h2-7,9-10H,8H2,1H3
InChIKeyZJIHQLGPRVZMJS-UHFFFAOYSA-N
MW215.25 g/mol
LogP3.05
Rot. Bonds3

About 2-(2-nitropropyl)naphthalene

2-(2-nitropropyl)naphthalene (PubChem CID 102503616) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-(2-nitropropyl)naphthalene.

Molecular Properties

Compound Name2-(2-nitropropyl)naphthalene
PubChem CID102503616
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name2-(2-nitropropyl)naphthalene
SMILESCC(Cc1ccc2ccccc2c1)[N+](=O)[O-]
InChIInChI=1S/C13H13NO2/c1-10(14(15)16)8-11-6-7-12-4-2-3-5-13(12)9-11/h2-7,9-10H,8H2,1H3
InChIKeyZJIHQLGPRVZMJS-UHFFFAOYSA-N
XLogP3.05
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

4-(2-nitropropyl)benzene-1,2-diol
CID 24721336
1-fluoro-3-(2-nitropropyl)benzene
CID 24721350
1-iodo-3-(2-nitropropyl)benzene
CID 135070744
2-methyl-3-naphthalen-2-ylpropane-1,1-diol
CID 20647932
4-(2-nitropropyl)aniline
CID 14004210
3-methyl-2-(naphthalen-2-ylmethyl)butanenitrile
CID 116931777
3-methyl-4-[3-(3-methyl-2-oxobutyl)phenyl]-1-naphthalen-2-ylbutan-2-one
CID 166677264
2-(2-chlorobutyl)naphthalene
CID 21490588
2-(2-propan-2-ylpentyl)naphthalene
CID 173217624
(1R,2S)-1-naphthalen-2-yl-2-nitropropan-1-ol
CID 101234159
2-(1-nitropropan-2-yl)naphthalene
CID 67238437
3-naphthalen-2-yl-2-trimethylsilylpropanoic acid
CID 101099223

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitropropyl)naphthalene?
The IUPAC name of 2-(2-nitropropyl)naphthalene (CID 102503616) is 2-(2-nitropropyl)naphthalene.
What is the SMILES notation for 2-(2-nitropropyl)naphthalene?
The canonical SMILES for 2-(2-nitropropyl)naphthalene is CC(Cc1ccc2ccccc2c1)[N+](=O)[O-].
What is the InChIKey of 2-(2-nitropropyl)naphthalene?
The InChIKey is ZJIHQLGPRVZMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-10(14(15)16)8-11-6-7-12-4-2-3-5-13(12)9-11/h2-7,9-10H,8H2,1H3.
What are the key properties of 2-(2-nitropropyl)naphthalene?
2-(2-nitropropyl)naphthalene has a molecular weight of 215.25 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitropropyl)naphthalene is sourced from PubChem (CID 102503616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).