(3Z)-3-ethylidene-4,5,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-2-one

C12H14N2O — CID 59085533

IUPAC(3Z)-3-ethylidene-4,5,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESC/C=C1\C(=O)Nc2nc(C)c(C)c(C)c21
InChIInChI=1S/C12H14N2O/c1-5-9-10-7(3)6(2)8(4)13-11(10)14-12(9)15/h5H,1-4H3,(H,13,14,15)/b9-5-
InChIKeyJWQLZASTBCCGOF-UITAMQMPSA-N
MW202.26 g/mol
LogP2.36
Rot. Bonds

About (3Z)-3-ethylidene-4,5,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-2-one

(3Z)-3-ethylidene-4,5,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-2-one (PubChem CID 59085533) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (3Z)-3-ethylidene-4,5,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name(3Z)-3-ethylidene-4,5,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-2-one
PubChem CID59085533
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(3Z)-3-ethylidene-4,5,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESC/C=C1\C(=O)Nc2nc(C)c(C)c(C)c21
InChIInChI=1S/C12H14N2O/c1-5-9-10-7(3)6(2)8(4)13-11(10)14-12(9)15/h5H,1-4H3,(H,13,14,15)/b9-5-
InChIKeyJWQLZASTBCCGOF-UITAMQMPSA-N
XLogP2.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
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-ethylidene-4,5,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of (3Z)-3-ethylidene-4,5,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-2-one (CID 59085533) is (3Z)-3-ethylidene-4,5,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for (3Z)-3-ethylidene-4,5,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for (3Z)-3-ethylidene-4,5,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-2-one is C/C=C1\C(=O)Nc2nc(C)c(C)c(C)c21.
What is the InChIKey of (3Z)-3-ethylidene-4,5,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-2-one?
The InChIKey is JWQLZASTBCCGOF-UITAMQMPSA-N. The full InChI is InChI=1S/C12H14N2O/c1-5-9-10-7(3)6(2)8(4)13-11(10)14-12(9)15/h5H,1-4H3,(H,13,14,15)/b9-5-.
What are the key properties of (3Z)-3-ethylidene-4,5,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-2-one?
(3Z)-3-ethylidene-4,5,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 202.26 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-4,5,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 59085533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).