2-(1-nitropropan-2-yl)naphthalene

C13H13NO2 — CID 67238437

IUPAC2-(1-nitropropan-2-yl)naphthalene
SMILESCC(C[N+](=O)[O-])c1ccc2ccccc2c1
InChIInChI=1S/C13H13NO2/c1-10(9-14(15)16)12-7-6-11-4-2-3-5-13(11)8-12/h2-8,10H,9H2,1H3
InChIKeyALYKLVIMZKFKEW-UHFFFAOYSA-N
MW215.25 g/mol
LogP3.22
Rot. Bonds3

About 2-(1-nitropropan-2-yl)naphthalene

2-(1-nitropropan-2-yl)naphthalene (PubChem CID 67238437) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-(1-nitropropan-2-yl)naphthalene.

Molecular Properties

Compound Name2-(1-nitropropan-2-yl)naphthalene
PubChem CID67238437
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name2-(1-nitropropan-2-yl)naphthalene
SMILESCC(C[N+](=O)[O-])c1ccc2ccccc2c1
InChIInChI=1S/C13H13NO2/c1-10(9-14(15)16)12-7-6-11-4-2-3-5-13(11)8-12/h2-8,10H,9H2,1H3
InChIKeyALYKLVIMZKFKEW-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
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

(1R,2S)-1-naphthalen-2-yl-2-nitropropan-1-ol
CID 101234159
3-naphthalen-2-yl-4-nitrobutanal
CID 74350095
diethyl 2-[(1S)-1-naphthalen-2-yl-2-nitroethyl]propanedioate
CID 101443052
1-[(1S)-1-naphthalen-2-yl-2-nitroethyl]benzotriazole
CID 102178699
4-methyl-2-[(1S)-1-naphthalen-2-yl-2-nitroethyl]phenol
CID 132503468
(3S)-3-naphthalen-2-ylbutanoic acid
CID 11350489
2-(4-chloropentan-2-yl)naphthalene
CID 64719465
N-methyl-2-naphthalen-2-ylpropan-1-amine
CID 19847434
ethane;2-propan-2-ylnaphthalene
CID 142226111
2-(2-nitropropyl)naphthalene
CID 102503616
2-propan-2-ylpentacene
CID 153380535
1-naphthalen-2-ylethanethiol
CID 11672816

Frequently Asked Questions

What is the IUPAC name of 2-(1-nitropropan-2-yl)naphthalene?
The IUPAC name of 2-(1-nitropropan-2-yl)naphthalene (CID 67238437) is 2-(1-nitropropan-2-yl)naphthalene.
What is the SMILES notation for 2-(1-nitropropan-2-yl)naphthalene?
The canonical SMILES for 2-(1-nitropropan-2-yl)naphthalene is CC(C[N+](=O)[O-])c1ccc2ccccc2c1.
What is the InChIKey of 2-(1-nitropropan-2-yl)naphthalene?
The InChIKey is ALYKLVIMZKFKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-10(9-14(15)16)12-7-6-11-4-2-3-5-13(11)8-12/h2-8,10H,9H2,1H3.
What are the key properties of 2-(1-nitropropan-2-yl)naphthalene?
2-(1-nitropropan-2-yl)naphthalene has a molecular weight of 215.25 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-nitropropan-2-yl)naphthalene is sourced from PubChem (CID 67238437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).