(7Z)-7-benzylidene-6-prop-2-enylpyrrolo[3,4-b]pyridin-5-one

C17H14N2O — CID 102177678

IUPAC(7Z)-7-benzylidene-6-prop-2-enylpyrrolo[3,4-b]pyridin-5-one
SMILESC=CCN1C(=O)c2cccnc2/C1=C/c1ccccc1
InChIInChI=1S/C17H14N2O/c1-2-11-19-15(12-13-7-4-3-5-8-13)16-14(17(19)20)9-6-10-18-16/h2-10,12H,1,11H2/b15-12-
InChIKeyIUFVTUDPYKAXCP-QINSGFPZSA-N
MW262.31 g/mol
LogP3.22
Rot. Bonds3

About (7Z)-7-benzylidene-6-prop-2-enylpyrrolo[3,4-b]pyridin-5-one

(7Z)-7-benzylidene-6-prop-2-enylpyrrolo[3,4-b]pyridin-5-one (PubChem CID 102177678) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is (7Z)-7-benzylidene-6-prop-2-enylpyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name(7Z)-7-benzylidene-6-prop-2-enylpyrrolo[3,4-b]pyridin-5-one
PubChem CID102177678
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name(7Z)-7-benzylidene-6-prop-2-enylpyrrolo[3,4-b]pyridin-5-one
SMILESC=CCN1C(=O)c2cccnc2/C1=C/c1ccccc1
InChIInChI=1S/C17H14N2O/c1-2-11-19-15(12-13-7-4-3-5-8-13)16-14(17(19)20)9-6-10-18-16/h2-10,12H,1,11H2/b15-12-
InChIKeyIUFVTUDPYKAXCP-QINSGFPZSA-N
XLogP3.22
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5E)-5-benzylidene-1-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
CID 839156
6-(hydroxymethyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 2133484
(3E)-3-benzylidene-2-(2-hydroxyethyl)isoindol-1-one
CID 177425418
(3E)-3-(2-oxo-1-prop-2-enylindol-3-ylidene)-1-prop-2-enylindol-2-one
CID 102050008
7-prop-2-enyl-5,6-dihydro-1,7-naphthyridin-8-one
CID 146344020
6-[[4-(aminomethyl)phenyl]methyl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 60998117
2-prop-2-enyl-4H-isoquinoline-1,3-dione
CID 58158111
9-prop-2-enyl-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione
CID 53473938
6-(3-hydroxypropyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 61206961
(3E)-1-prop-2-enyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one
CID 9216037
3-prop-2-enyl-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 42915048
ethyl 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetate
CID 15744738

Frequently Asked Questions

What is the IUPAC name of (7Z)-7-benzylidene-6-prop-2-enylpyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of (7Z)-7-benzylidene-6-prop-2-enylpyrrolo[3,4-b]pyridin-5-one (CID 102177678) is (7Z)-7-benzylidene-6-prop-2-enylpyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for (7Z)-7-benzylidene-6-prop-2-enylpyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for (7Z)-7-benzylidene-6-prop-2-enylpyrrolo[3,4-b]pyridin-5-one is C=CCN1C(=O)c2cccnc2/C1=C/c1ccccc1.
What is the InChIKey of (7Z)-7-benzylidene-6-prop-2-enylpyrrolo[3,4-b]pyridin-5-one?
The InChIKey is IUFVTUDPYKAXCP-QINSGFPZSA-N. The full InChI is InChI=1S/C17H14N2O/c1-2-11-19-15(12-13-7-4-3-5-8-13)16-14(17(19)20)9-6-10-18-16/h2-10,12H,1,11H2/b15-12-.
What are the key properties of (7Z)-7-benzylidene-6-prop-2-enylpyrrolo[3,4-b]pyridin-5-one?
(7Z)-7-benzylidene-6-prop-2-enylpyrrolo[3,4-b]pyridin-5-one has a molecular weight of 262.31 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-benzylidene-6-prop-2-enylpyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 102177678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).