6-(2-morpholin-4-yl-2-oxoethyl)-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-one

C16H19N3O3 — CID 53164600

IUPAC6-(2-morpholin-4-yl-2-oxoethyl)-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-one
SMILESC=CCn1ccc2ccn(CC(=O)N3CCOCC3)c(=O)c21
InChIInChI=1S/C16H19N3O3/c1-2-5-18-6-3-13-4-7-19(16(21)15(13)18)12-14(20)17-8-10-22-11-9-17/h2-4,6-7H,1,5,8-12H2
InChIKeyKIQSMQHLDXBCAD-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.85
Rot. Bonds4

About 6-(2-morpholin-4-yl-2-oxoethyl)-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-one

6-(2-morpholin-4-yl-2-oxoethyl)-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-one (PubChem CID 53164600) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 6-(2-morpholin-4-yl-2-oxoethyl)-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-(2-morpholin-4-yl-2-oxoethyl)-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-one
PubChem CID53164600
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name6-(2-morpholin-4-yl-2-oxoethyl)-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-one
SMILESC=CCn1ccc2ccn(CC(=O)N3CCOCC3)c(=O)c21
InChIInChI=1S/C16H19N3O3/c1-2-5-18-6-3-13-4-7-19(16(21)15(13)18)12-14(20)17-8-10-22-11-9-17/h2-4,6-7H,1,5,8-12H2
InChIKeyKIQSMQHLDXBCAD-UHFFFAOYSA-N
XLogP0.85
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 6-(2-morpholin-4-yl-2-oxoethyl)-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 6-(2-morpholin-4-yl-2-oxoethyl)-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-one (CID 53164600) is 6-(2-morpholin-4-yl-2-oxoethyl)-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-(2-morpholin-4-yl-2-oxoethyl)-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 6-(2-morpholin-4-yl-2-oxoethyl)-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-one is C=CCn1ccc2ccn(CC(=O)N3CCOCC3)c(=O)c21.
What is the InChIKey of 6-(2-morpholin-4-yl-2-oxoethyl)-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-one?
The InChIKey is KIQSMQHLDXBCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-2-5-18-6-3-13-4-7-19(16(21)15(13)18)12-14(20)17-8-10-22-11-9-17/h2-4,6-7H,1,5,8-12H2.
What are the key properties of 6-(2-morpholin-4-yl-2-oxoethyl)-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-one?
6-(2-morpholin-4-yl-2-oxoethyl)-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-one has a molecular weight of 301.35 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-morpholin-4-yl-2-oxoethyl)-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 53164600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).