3-[(Z)-3-nitrosobut-2-en-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-ol

C11H11N3O2 — CID 137300610

IUPAC3-[(Z)-3-nitrosobut-2-en-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-ol
SMILESC/C(N=O)=C(\C)c1c(O)[nH]c2ncccc12
InChIInChI=1S/C11H11N3O2/c1-6(7(2)14-16)9-8-4-3-5-12-10(8)13-11(9)15/h3-5,15H,1-2H3,(H,12,13)/b7-6-
InChIKeyIJRARHRPIPOIBI-SREVYHEPSA-N
MW217.23 g/mol
LogP2.79
Rot. Bonds2

About 3-[(Z)-3-nitrosobut-2-en-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-ol

3-[(Z)-3-nitrosobut-2-en-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-ol (PubChem CID 137300610) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-[(Z)-3-nitrosobut-2-en-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-ol.

Molecular Properties

Compound Name3-[(Z)-3-nitrosobut-2-en-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-ol
PubChem CID137300610
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name3-[(Z)-3-nitrosobut-2-en-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-ol
SMILESC/C(N=O)=C(\C)c1c(O)[nH]c2ncccc12
InChIInChI=1S/C11H11N3O2/c1-6(7(2)14-16)9-8-4-3-5-12-10(8)13-11(9)15/h3-5,15H,1-2H3,(H,12,13)/b7-6-
InChIKeyIJRARHRPIPOIBI-SREVYHEPSA-N
XLogP2.79
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-3-nitrosobut-2-en-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-ol?
The IUPAC name of 3-[(Z)-3-nitrosobut-2-en-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-ol (CID 137300610) is 3-[(Z)-3-nitrosobut-2-en-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-ol.
What is the SMILES notation for 3-[(Z)-3-nitrosobut-2-en-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-ol?
The canonical SMILES for 3-[(Z)-3-nitrosobut-2-en-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-ol is C/C(N=O)=C(\C)c1c(O)[nH]c2ncccc12.
What is the InChIKey of 3-[(Z)-3-nitrosobut-2-en-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-ol?
The InChIKey is IJRARHRPIPOIBI-SREVYHEPSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-6(7(2)14-16)9-8-4-3-5-12-10(8)13-11(9)15/h3-5,15H,1-2H3,(H,12,13)/b7-6-.
What are the key properties of 3-[(Z)-3-nitrosobut-2-en-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-ol?
3-[(Z)-3-nitrosobut-2-en-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-ol has a molecular weight of 217.23 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-3-nitrosobut-2-en-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-ol is sourced from PubChem (CID 137300610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).