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

C12H14N2O — CID 72511894

IUPAC3-ethylidene-4,5,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESCC=C1C(=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)
InChIKeyJWQLZASTBCCGOF-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.36
Rot. Bonds

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

3-ethylidene-4,5,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-2-one (PubChem CID 72511894) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-ethylidene-4,5,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3-ethylidene-4,5,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-2-one
PubChem CID72511894
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-ethylidene-4,5,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESCC=C1C(=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)
InChIKeyJWQLZASTBCCGOF-UHFFFAOYSA-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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Related Compounds

N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 124524
6-Methyl-2-(phthalimido)pyridine
CID 692293
N-(6-methyl-2-pyridinyl)benzamide
CID 293096
3-cyclopentyl-N-(4,6-dimethyl-2-pyridinyl)propanamide
CID 4184818
3-amino-N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 13440638
2-(4,6-Dimethyl-pyridin-2-yl)-isoindole-1,3-dione
CID 11064900
3-Bromo-5,6,7-trimethyl-1,2-dihydro-1,8-naphthyridin-2-one
CID 131701567
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-2-methylbenzamide
CID 137995032
3-ethyl-5,6-difluoro-7-methyl-1H-1,8-naphthyridin-2-one
CID 118005244
3-ethyl-6-fluoro-5,7-dimethyl-1H-1,8-naphthyridin-2-one
CID 118005404
5-fluoro-6,7-dimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one
CID 122543657
6-fluoro-5,7-dimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one
CID 122543658

Frequently Asked Questions

What is the IUPAC name of 3-ethylidene-4,5,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 3-ethylidene-4,5,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-2-one (CID 72511894) is 3-ethylidene-4,5,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 3-ethylidene-4,5,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 3-ethylidene-4,5,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-2-one is CC=C1C(=O)Nc2nc(C)c(C)c(C)c21.
What is the InChIKey of 3-ethylidene-4,5,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-2-one?
The InChIKey is JWQLZASTBCCGOF-UHFFFAOYSA-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).
What are the key properties of 3-ethylidene-4,5,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-2-one?
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 3-ethylidene-4,5,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 72511894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).