2-ethyl-6-nitroso-3,4-dihydro-1H-isoquinoline

C11H14N2O — CID 87982262

IUPAC2-ethyl-6-nitroso-3,4-dihydro-1H-isoquinoline
SMILESCCN1CCc2cc(N=O)ccc2C1
InChIInChI=1S/C11H14N2O/c1-2-13-6-5-9-7-11(12-14)4-3-10(9)8-13/h3-4,7H,2,5-6,8H2,1H3
InChIKeyYYCCTVFVYNKVHX-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.46
Rot. Bonds2

About 2-ethyl-6-nitroso-3,4-dihydro-1H-isoquinoline

2-ethyl-6-nitroso-3,4-dihydro-1H-isoquinoline (PubChem CID 87982262) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-ethyl-6-nitroso-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-ethyl-6-nitroso-3,4-dihydro-1H-isoquinoline
PubChem CID87982262
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-ethyl-6-nitroso-3,4-dihydro-1H-isoquinoline
SMILESCCN1CCc2cc(N=O)ccc2C1
InChIInChI=1S/C11H14N2O/c1-2-13-6-5-9-7-11(12-14)4-3-10(9)8-13/h3-4,7H,2,5-6,8H2,1H3
InChIKeyYYCCTVFVYNKVHX-UHFFFAOYSA-N
XLogP2.46
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-nitroso-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-ethyl-6-nitroso-3,4-dihydro-1H-isoquinoline (CID 87982262) is 2-ethyl-6-nitroso-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-ethyl-6-nitroso-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-ethyl-6-nitroso-3,4-dihydro-1H-isoquinoline is CCN1CCc2cc(N=O)ccc2C1.
What is the InChIKey of 2-ethyl-6-nitroso-3,4-dihydro-1H-isoquinoline?
The InChIKey is YYCCTVFVYNKVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-13-6-5-9-7-11(12-14)4-3-10(9)8-13/h3-4,7H,2,5-6,8H2,1H3.
What are the key properties of 2-ethyl-6-nitroso-3,4-dihydro-1H-isoquinoline?
2-ethyl-6-nitroso-3,4-dihydro-1H-isoquinoline has a molecular weight of 190.25 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-nitroso-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 87982262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).