2-nitrosoethylbenzene

C8H9NO — CID 21470433

IUPAC2-nitrosoethylbenzene
SMILESO=NCCc1ccccc1
InChIInChI=1S/C8H9NO/c10-9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyFNSHODRMJOOVIS-UHFFFAOYSA-N
MW135.17 g/mol
LogP2.00
Rot. Bonds3

About 2-nitrosoethylbenzene

2-nitrosoethylbenzene (PubChem CID 21470433) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 2-nitrosoethylbenzene.

Molecular Properties

Compound Name2-nitrosoethylbenzene
PubChem CID21470433
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name2-nitrosoethylbenzene
SMILESO=NCCc1ccccc1
InChIInChI=1S/C8H9NO/c10-9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyFNSHODRMJOOVIS-UHFFFAOYSA-N
XLogP2.00
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phenethylamine
CID 1001
N,N-Dimethylphenylethylamine
CID 25125
3-Phenylpropylamine
CID 16259
2-Phenylethylamine hydrochloride
CID 9075
Phenethyl isocyanate
CID 160602
Benzenebutanamine
CID 83242
1-Nitro-2-phenylethane
CID 80208
N-methyl-N-nitrosobenzeneethanamine
CID 83271
2-Phenylethanaminium
CID 448751
Benzene, (2-azidoethyl)-
CID 145976
Phenethylamine hydrobromide
CID 70441016
(2-Isocyanoethyl)benzene
CID 427710

Frequently Asked Questions

What is the IUPAC name of 2-nitrosoethylbenzene?
The IUPAC name of 2-nitrosoethylbenzene (CID 21470433) is 2-nitrosoethylbenzene.
What is the SMILES notation for 2-nitrosoethylbenzene?
The canonical SMILES for 2-nitrosoethylbenzene is O=NCCc1ccccc1.
What is the InChIKey of 2-nitrosoethylbenzene?
The InChIKey is FNSHODRMJOOVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c10-9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 2-nitrosoethylbenzene?
2-nitrosoethylbenzene has a molecular weight of 135.17 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitrosoethylbenzene is sourced from PubChem (CID 21470433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).