(3E)-6-chloro-3-propylidene-1H-pyrrolo[2,3-b]pyridin-2-one

C10H9ClN2O — CID 167005988

IUPAC(3E)-6-chloro-3-propylidene-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESCC/C=C1/C(=O)Nc2nc(Cl)ccc21
InChIInChI=1S/C10H9ClN2O/c1-2-3-7-6-4-5-8(11)12-9(6)13-10(7)14/h3-5H,2H2,1H3,(H,12,13,14)/b7-3+
InChIKeyWRHIOLVDLRFJMR-XVNBXDOJSA-N
MW208.65 g/mol
LogP2.48
Rot. Bonds1

About (3E)-6-chloro-3-propylidene-1H-pyrrolo[2,3-b]pyridin-2-one

(3E)-6-chloro-3-propylidene-1H-pyrrolo[2,3-b]pyridin-2-one (PubChem CID 167005988) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is (3E)-6-chloro-3-propylidene-1H-pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name(3E)-6-chloro-3-propylidene-1H-pyrrolo[2,3-b]pyridin-2-one
PubChem CID167005988
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name(3E)-6-chloro-3-propylidene-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESCC/C=C1/C(=O)Nc2nc(Cl)ccc21
InChIInChI=1S/C10H9ClN2O/c1-2-3-7-6-4-5-8(11)12-9(6)13-10(7)14/h3-5H,2H2,1H3,(H,12,13,14)/b7-3+
InChIKeyWRHIOLVDLRFJMR-XVNBXDOJSA-N
XLogP2.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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6-methyl-5-(2-oxo-3-propylidene-1H-indol-5-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one
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6-chloro-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine;ethanol
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Frequently Asked Questions

What is the IUPAC name of (3E)-6-chloro-3-propylidene-1H-pyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of (3E)-6-chloro-3-propylidene-1H-pyrrolo[2,3-b]pyridin-2-one (CID 167005988) is (3E)-6-chloro-3-propylidene-1H-pyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for (3E)-6-chloro-3-propylidene-1H-pyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for (3E)-6-chloro-3-propylidene-1H-pyrrolo[2,3-b]pyridin-2-one is CC/C=C1/C(=O)Nc2nc(Cl)ccc21.
What is the InChIKey of (3E)-6-chloro-3-propylidene-1H-pyrrolo[2,3-b]pyridin-2-one?
The InChIKey is WRHIOLVDLRFJMR-XVNBXDOJSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-2-3-7-6-4-5-8(11)12-9(6)13-10(7)14/h3-5H,2H2,1H3,(H,12,13,14)/b7-3+.
What are the key properties of (3E)-6-chloro-3-propylidene-1H-pyrrolo[2,3-b]pyridin-2-one?
(3E)-6-chloro-3-propylidene-1H-pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 208.65 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-chloro-3-propylidene-1H-pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 167005988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).