5-methyl-3-nitroso-1-prop-2-enylindol-2-ol

C12H12N2O2 — CID 794261

IUPAC5-methyl-3-nitroso-1-prop-2-enylindol-2-ol
SMILESC=CCn1c(O)c(N=O)c2cc(C)ccc21
InChIInChI=1S/C12H12N2O2/c1-3-6-14-10-5-4-8(2)7-9(10)11(13-16)12(14)15/h3-5,7,15H,1,6H2,2H3
InChIKeyKMCODBVSTHJFKK-UHFFFAOYSA-N
MW216.24 g/mol
LogP3.24
Rot. Bonds3

About 5-methyl-3-nitroso-1-prop-2-enylindol-2-ol

5-methyl-3-nitroso-1-prop-2-enylindol-2-ol (PubChem CID 794261) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-methyl-3-nitroso-1-prop-2-enylindol-2-ol.

Molecular Properties

Compound Name5-methyl-3-nitroso-1-prop-2-enylindol-2-ol
PubChem CID794261
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name5-methyl-3-nitroso-1-prop-2-enylindol-2-ol
SMILESC=CCn1c(O)c(N=O)c2cc(C)ccc21
InChIInChI=1S/C12H12N2O2/c1-3-6-14-10-5-4-8(2)7-9(10)11(13-16)12(14)15/h3-5,7,15H,1,6H2,2H3
InChIKeyKMCODBVSTHJFKK-UHFFFAOYSA-N
XLogP3.24
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-nitroso-1-prop-2-enylindol-2-ol?
The IUPAC name of 5-methyl-3-nitroso-1-prop-2-enylindol-2-ol (CID 794261) is 5-methyl-3-nitroso-1-prop-2-enylindol-2-ol.
What is the SMILES notation for 5-methyl-3-nitroso-1-prop-2-enylindol-2-ol?
The canonical SMILES for 5-methyl-3-nitroso-1-prop-2-enylindol-2-ol is C=CCn1c(O)c(N=O)c2cc(C)ccc21.
What is the InChIKey of 5-methyl-3-nitroso-1-prop-2-enylindol-2-ol?
The InChIKey is KMCODBVSTHJFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-3-6-14-10-5-4-8(2)7-9(10)11(13-16)12(14)15/h3-5,7,15H,1,6H2,2H3.
What are the key properties of 5-methyl-3-nitroso-1-prop-2-enylindol-2-ol?
5-methyl-3-nitroso-1-prop-2-enylindol-2-ol has a molecular weight of 216.24 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-nitroso-1-prop-2-enylindol-2-ol is sourced from PubChem (CID 794261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).