1-ethyl-2,4,5-trimethyl-3-nitrosobenzene

C11H15NO — CID 143238616

IUPAC1-ethyl-2,4,5-trimethyl-3-nitrosobenzene
SMILESCCc1cc(C)c(C)c(N=O)c1C
InChIInChI=1S/C11H15NO/c1-5-10-6-7(2)8(3)11(12-13)9(10)4/h6H,5H2,1-4H3
InChIKeyXFVCSYKDCOFUIQ-UHFFFAOYSA-N
MW177.25 g/mol
LogP3.57
Rot. Bonds2

About 1-ethyl-2,4,5-trimethyl-3-nitrosobenzene

1-ethyl-2,4,5-trimethyl-3-nitrosobenzene (PubChem CID 143238616) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-ethyl-2,4,5-trimethyl-3-nitrosobenzene.

Molecular Properties

Compound Name1-ethyl-2,4,5-trimethyl-3-nitrosobenzene
PubChem CID143238616
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-ethyl-2,4,5-trimethyl-3-nitrosobenzene
SMILESCCc1cc(C)c(C)c(N=O)c1C
InChIInChI=1S/C11H15NO/c1-5-10-6-7(2)8(3)11(12-13)9(10)4/h6H,5H2,1-4H3
InChIKeyXFVCSYKDCOFUIQ-UHFFFAOYSA-N
XLogP3.57
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,4,5-trimethyl-3-nitrosobenzene?
The IUPAC name of 1-ethyl-2,4,5-trimethyl-3-nitrosobenzene (CID 143238616) is 1-ethyl-2,4,5-trimethyl-3-nitrosobenzene.
What is the SMILES notation for 1-ethyl-2,4,5-trimethyl-3-nitrosobenzene?
The canonical SMILES for 1-ethyl-2,4,5-trimethyl-3-nitrosobenzene is CCc1cc(C)c(C)c(N=O)c1C.
What is the InChIKey of 1-ethyl-2,4,5-trimethyl-3-nitrosobenzene?
The InChIKey is XFVCSYKDCOFUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-5-10-6-7(2)8(3)11(12-13)9(10)4/h6H,5H2,1-4H3.
What are the key properties of 1-ethyl-2,4,5-trimethyl-3-nitrosobenzene?
1-ethyl-2,4,5-trimethyl-3-nitrosobenzene has a molecular weight of 177.25 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,4,5-trimethyl-3-nitrosobenzene is sourced from PubChem (CID 143238616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).