(3Z)-3-ethylidene-1-methylpyrrolo[2,3-b]pyridin-2-one

C10H10N2O — CID 76847801

IUPAC(3Z)-3-ethylidene-1-methylpyrrolo[2,3-b]pyridin-2-one
SMILESC/C=C1\C(=O)N(C)c2ncccc21
InChIInChI=1S/C10H10N2O/c1-3-7-8-5-4-6-11-9(8)12(2)10(7)13/h3-6H,1-2H3/b7-3-
InChIKeyIXPJLHOEJJOFPU-CLTKARDFSA-N
MW174.20 g/mol
LogP1.46
Rot. Bonds

About (3Z)-3-ethylidene-1-methylpyrrolo[2,3-b]pyridin-2-one

(3Z)-3-ethylidene-1-methylpyrrolo[2,3-b]pyridin-2-one (PubChem CID 76847801) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is (3Z)-3-ethylidene-1-methylpyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name(3Z)-3-ethylidene-1-methylpyrrolo[2,3-b]pyridin-2-one
PubChem CID76847801
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name(3Z)-3-ethylidene-1-methylpyrrolo[2,3-b]pyridin-2-one
SMILESC/C=C1\C(=O)N(C)c2ncccc21
InChIInChI=1S/C10H10N2O/c1-3-7-8-5-4-6-11-9(8)12(2)10(7)13/h3-6H,1-2H3/b7-3-
InChIKeyIXPJLHOEJJOFPU-CLTKARDFSA-N
XLogP1.46
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 85157103
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2-(3-methyl-2-pyridinyl)isoindole-1,3-dione
CID 10609961
5-ethylidene-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 20693559
6,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one
CID 21300282
1-methyl-3-(pyridin-3-ylmethylidene)indol-2-one
CID 964257
6-methoxypyrrolo[3,4-b]pyridine-5,7-dione
CID 59172841
3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione
CID 45093444
11-[2-[di(propan-2-yl)amino]ethyl]-5-methylpyrido[2,3-b][1,4]benzodiazepin-6-one
CID 54288868
2-ethyl-9-methyl-5-(propylideneamino)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
CID 54252777
2-methylisoindole-1,3-dione;pyridine
CID 174877202
3-ethyl-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one
CID 10654865

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-1-methylpyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of (3Z)-3-ethylidene-1-methylpyrrolo[2,3-b]pyridin-2-one (CID 76847801) is (3Z)-3-ethylidene-1-methylpyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for (3Z)-3-ethylidene-1-methylpyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for (3Z)-3-ethylidene-1-methylpyrrolo[2,3-b]pyridin-2-one is C/C=C1\C(=O)N(C)c2ncccc21.
What is the InChIKey of (3Z)-3-ethylidene-1-methylpyrrolo[2,3-b]pyridin-2-one?
The InChIKey is IXPJLHOEJJOFPU-CLTKARDFSA-N. The full InChI is InChI=1S/C10H10N2O/c1-3-7-8-5-4-6-11-9(8)12(2)10(7)13/h3-6H,1-2H3/b7-3-.
What are the key properties of (3Z)-3-ethylidene-1-methylpyrrolo[2,3-b]pyridin-2-one?
(3Z)-3-ethylidene-1-methylpyrrolo[2,3-b]pyridin-2-one has a molecular weight of 174.20 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-1-methylpyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 76847801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).