(2-ethylphenyl)methyl nitrite

C9H11NO2 — CID 154123922

IUPAC(2-ethylphenyl)methyl nitrite
SMILESCCc1ccccc1CON=O
InChIInChI=1S/C9H11NO2/c1-2-8-5-3-4-6-9(8)7-12-10-11/h3-6H,2,7H2,1H3
InChIKeyUUFVLCFBYUYLMD-UHFFFAOYSA-N
MW165.19 g/mol
LogP2.45
Rot. Bonds4

About (2-ethylphenyl)methyl nitrite

(2-ethylphenyl)methyl nitrite (PubChem CID 154123922) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is (2-ethylphenyl)methyl nitrite.

Molecular Properties

Compound Name(2-ethylphenyl)methyl nitrite
PubChem CID154123922
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name(2-ethylphenyl)methyl nitrite
SMILESCCc1ccccc1CON=O
InChIInChI=1S/C9H11NO2/c1-2-8-5-3-4-6-9(8)7-12-10-11/h3-6H,2,7H2,1H3
InChIKeyUUFVLCFBYUYLMD-UHFFFAOYSA-N
XLogP2.45
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-ethyl-5-methylphenyl)methyl nitrite
CID 154301727
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CID 69430210
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1,2-diethylbenzene;formamide
CID 157370947
benzene;1,2-diethylbenzene;1,2-xylene
CID 174742983
1-ethyl-2-[2-[2-(2-ethylphenyl)ethoxy]ethyl]benzene
CID 139601615
N-[(2-ethylphenyl)methyl]methanimine
CID 126763351

Frequently Asked Questions

What is the IUPAC name of (2-ethylphenyl)methyl nitrite?
The IUPAC name of (2-ethylphenyl)methyl nitrite (CID 154123922) is (2-ethylphenyl)methyl nitrite.
What is the SMILES notation for (2-ethylphenyl)methyl nitrite?
The canonical SMILES for (2-ethylphenyl)methyl nitrite is CCc1ccccc1CON=O.
What is the InChIKey of (2-ethylphenyl)methyl nitrite?
The InChIKey is UUFVLCFBYUYLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-2-8-5-3-4-6-9(8)7-12-10-11/h3-6H,2,7H2,1H3.
What are the key properties of (2-ethylphenyl)methyl nitrite?
(2-ethylphenyl)methyl nitrite has a molecular weight of 165.19 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylphenyl)methyl nitrite is sourced from PubChem (CID 154123922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).