1-tert-butyl-3-nitroso-2-propan-2-ylbenzene

C13H19NO — CID 174619998

IUPAC1-tert-butyl-3-nitroso-2-propan-2-ylbenzene
SMILESCC(C)c1c(N=O)cccc1C(C)(C)C
InChIInChI=1S/C13H19NO/c1-9(2)12-10(13(3,4)5)7-6-8-11(12)14-15/h6-9H,1-5H3
InChIKeyFBJBBYGJUOWRNM-UHFFFAOYSA-N
MW205.30 g/mol
LogP4.51
Rot. Bonds2

About 1-tert-butyl-3-nitroso-2-propan-2-ylbenzene

1-tert-butyl-3-nitroso-2-propan-2-ylbenzene (PubChem CID 174619998) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-tert-butyl-3-nitroso-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-tert-butyl-3-nitroso-2-propan-2-ylbenzene
PubChem CID174619998
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-tert-butyl-3-nitroso-2-propan-2-ylbenzene
SMILESCC(C)c1c(N=O)cccc1C(C)(C)C
InChIInChI=1S/C13H19NO/c1-9(2)12-10(13(3,4)5)7-6-8-11(12)14-15/h6-9H,1-5H3
InChIKeyFBJBBYGJUOWRNM-UHFFFAOYSA-N
XLogP4.51
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-nitroso-2-propan-2-ylbenzene?
The IUPAC name of 1-tert-butyl-3-nitroso-2-propan-2-ylbenzene (CID 174619998) is 1-tert-butyl-3-nitroso-2-propan-2-ylbenzene.
What is the SMILES notation for 1-tert-butyl-3-nitroso-2-propan-2-ylbenzene?
The canonical SMILES for 1-tert-butyl-3-nitroso-2-propan-2-ylbenzene is CC(C)c1c(N=O)cccc1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-nitroso-2-propan-2-ylbenzene?
The InChIKey is FBJBBYGJUOWRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9(2)12-10(13(3,4)5)7-6-8-11(12)14-15/h6-9H,1-5H3.
What are the key properties of 1-tert-butyl-3-nitroso-2-propan-2-ylbenzene?
1-tert-butyl-3-nitroso-2-propan-2-ylbenzene has a molecular weight of 205.30 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-nitroso-2-propan-2-ylbenzene is sourced from PubChem (CID 174619998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).