2,4-dimethyl-1-(1-nitrosoethyl)benzene

C10H13NO — CID 91440985

IUPAC2,4-dimethyl-1-(1-nitrosoethyl)benzene
SMILESCc1ccc(C(C)N=O)c(C)c1
InChIInChI=1S/C10H13NO/c1-7-4-5-10(8(2)6-7)9(3)11-12/h4-6,9H,1-3H3
InChIKeyGPLMPXPKGSIPOD-UHFFFAOYSA-N
MW163.22 g/mol
LogP3.13
Rot. Bonds2

About 2,4-dimethyl-1-(1-nitrosoethyl)benzene

2,4-dimethyl-1-(1-nitrosoethyl)benzene (PubChem CID 91440985) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2,4-dimethyl-1-(1-nitrosoethyl)benzene.

Molecular Properties

Compound Name2,4-dimethyl-1-(1-nitrosoethyl)benzene
PubChem CID91440985
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2,4-dimethyl-1-(1-nitrosoethyl)benzene
SMILESCc1ccc(C(C)N=O)c(C)c1
InChIInChI=1S/C10H13NO/c1-7-4-5-10(8(2)6-7)9(3)11-12/h4-6,9H,1-3H3
InChIKeyGPLMPXPKGSIPOD-UHFFFAOYSA-N
XLogP3.13
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2,4-dimethylphenyl)butan-2-yl]-2,4-dimethylbenzene;ethane
CID 91220313
1-[1-(2,4-dimethylphenyl)ethyl]-2,3,4-trimethylbenzene
CID 173435517
2-[1-(2,4-dimethylphenyl)ethylamino]-N-propylpropanamide
CID 43684840
N-cyano-N'-[(1S)-1-(2,4-dimethylphenyl)ethyl]ethanimidamide
CID 129362959
1-(2,4-dimethylphenyl)-N-(2-methylsulfinylethyl)ethanamine
CID 115720774
2,4-dimethyl-1-[1-(2-methylphenyl)ethyl]benzene
CID 54473191
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]hydroxylamine
CID 130067534
(1S)-1-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-amine
CID 28500813
3-(2,4-dimethylphenyl)-N-methylbutanamide
CID 82077150
N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327567
1,2,4-trimethylbenzene
CID 7247
(1R,2R)-1-amino-1-(2,4-dimethylphenyl)propan-2-ol
CID 131023872

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(1-nitrosoethyl)benzene?
The IUPAC name of 2,4-dimethyl-1-(1-nitrosoethyl)benzene (CID 91440985) is 2,4-dimethyl-1-(1-nitrosoethyl)benzene.
What is the SMILES notation for 2,4-dimethyl-1-(1-nitrosoethyl)benzene?
The canonical SMILES for 2,4-dimethyl-1-(1-nitrosoethyl)benzene is Cc1ccc(C(C)N=O)c(C)c1.
What is the InChIKey of 2,4-dimethyl-1-(1-nitrosoethyl)benzene?
The InChIKey is GPLMPXPKGSIPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-7-4-5-10(8(2)6-7)9(3)11-12/h4-6,9H,1-3H3.
What are the key properties of 2,4-dimethyl-1-(1-nitrosoethyl)benzene?
2,4-dimethyl-1-(1-nitrosoethyl)benzene has a molecular weight of 163.22 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(1-nitrosoethyl)benzene is sourced from PubChem (CID 91440985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).