(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one

C12H9N3O — CID 66556399

IUPAC(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one
SMILESO=C1Nc2cccnc2/C1=C/c1ccc[nH]1
InChIInChI=1S/C12H9N3O/c16-12-9(7-8-3-1-5-13-8)11-10(15-12)4-2-6-14-11/h1-7,13H,(H,15,16)/b9-7-
InChIKeyYBLRGOJTSYDSMC-CLFYSBASSA-N
MW211.22 g/mol
LogP1.90
Rot. Bonds1

About (3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one

(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one (PubChem CID 66556399) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is (3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one.

Molecular Properties

Compound Name(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one
PubChem CID66556399
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one
SMILESO=C1Nc2cccnc2/C1=C/c1ccc[nH]1
InChIInChI=1S/C12H9N3O/c16-12-9(7-8-3-1-5-13-8)11-10(15-12)4-2-6-14-11/h1-7,13H,(H,15,16)/b9-7-
InChIKeyYBLRGOJTSYDSMC-CLFYSBASSA-N
XLogP1.90
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one?
The IUPAC name of (3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one (CID 66556399) is (3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one.
What is the SMILES notation for (3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one?
The canonical SMILES for (3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one is O=C1Nc2cccnc2/C1=C/c1ccc[nH]1.
What is the InChIKey of (3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one?
The InChIKey is YBLRGOJTSYDSMC-CLFYSBASSA-N. The full InChI is InChI=1S/C12H9N3O/c16-12-9(7-8-3-1-5-13-8)11-10(15-12)4-2-6-14-11/h1-7,13H,(H,15,16)/b9-7-.
What are the key properties of (3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one?
(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one has a molecular weight of 211.22 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one is sourced from PubChem (CID 66556399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).