1-benzyl-3-nitrosoindol-2-ol

C15H12N2O2 — CID 921636

IUPAC1-benzyl-3-nitrosoindol-2-ol
SMILESO=Nc1c(O)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C15H12N2O2/c18-15-14(16-19)12-8-4-5-9-13(12)17(15)10-11-6-2-1-3-7-11/h1-9,18H,10H2
InChIKeyLCVVPHMYBJKFRV-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.79
Rot. Bonds3

About 1-benzyl-3-nitrosoindol-2-ol

1-benzyl-3-nitrosoindol-2-ol (PubChem CID 921636) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-benzyl-3-nitrosoindol-2-ol.

Molecular Properties

Compound Name1-benzyl-3-nitrosoindol-2-ol
PubChem CID921636
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name1-benzyl-3-nitrosoindol-2-ol
SMILESO=Nc1c(O)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C15H12N2O2/c18-15-14(16-19)12-8-4-5-9-13(12)17(15)10-11-6-2-1-3-7-11/h1-9,18H,10H2
InChIKeyLCVVPHMYBJKFRV-UHFFFAOYSA-N
XLogP3.79
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-nitrosoindol-2-ol?
The IUPAC name of 1-benzyl-3-nitrosoindol-2-ol (CID 921636) is 1-benzyl-3-nitrosoindol-2-ol.
What is the SMILES notation for 1-benzyl-3-nitrosoindol-2-ol?
The canonical SMILES for 1-benzyl-3-nitrosoindol-2-ol is O=Nc1c(O)n(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-benzyl-3-nitrosoindol-2-ol?
The InChIKey is LCVVPHMYBJKFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-15-14(16-19)12-8-4-5-9-13(12)17(15)10-11-6-2-1-3-7-11/h1-9,18H,10H2.
What are the key properties of 1-benzyl-3-nitrosoindol-2-ol?
1-benzyl-3-nitrosoindol-2-ol has a molecular weight of 252.27 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-nitrosoindol-2-ol is sourced from PubChem (CID 921636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).