indol-2-one;prop-2-enamide

C11H10N2O2 — CID 158033348

IUPACindol-2-one;prop-2-enamide
SMILESC=CC(N)=O.O=C1C=c2ccccc2=N1
InChIInChI=1S/C8H5NO.C3H5NO/c10-8-5-6-3-1-2-4-7(6)9-8;1-2-3(4)5/h1-5H;2H,1H2,(H2,4,5)
InChIKeyFHLHNMGLEJVEQI-UHFFFAOYSA-N
MW202.21 g/mol
LogP-0.72
Rot. Bonds1

About indol-2-one;prop-2-enamide

indol-2-one;prop-2-enamide (PubChem CID 158033348) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is indol-2-one;prop-2-enamide.

Molecular Properties

Compound Nameindol-2-one;prop-2-enamide
PubChem CID158033348
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Nameindol-2-one;prop-2-enamide
SMILESC=CC(N)=O.O=C1C=c2ccccc2=N1
InChIInChI=1S/C8H5NO.C3H5NO/c10-8-5-6-3-1-2-4-7(6)9-8;1-2-3(4)5/h1-5H;2H,1H2,(H2,4,5)
InChIKeyFHLHNMGLEJVEQI-UHFFFAOYSA-N
XLogP-0.72
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze indol-2-one;prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Indol-2-one
CID 17904787
Benzazoninone
CID 20269004
2-Oxotryptamine
CID 86769186
5-Aminocarbonyl benzimidazolone
CID 125415327
Cyclopenta-(b)-pyridinone
CID 129707027
2-(6-Fluoro-2-oxoindol-3-yl)acetamide
CID 69034899
6-Amino-3-fluoroindol-2-one
CID 174589562
4-Amino-1-benzazepin-2-one
CID 91371396
Indenopyridone
CID 129789721
5,6-Difluoroindol-1-ium-2-one
CID 86307950
2H-indol-2-one hydrochloride
CID 19438941
6-Aminoindol-2-one
CID 19844541

Frequently Asked Questions

What is the IUPAC name of indol-2-one;prop-2-enamide?
The IUPAC name of indol-2-one;prop-2-enamide (CID 158033348) is indol-2-one;prop-2-enamide.
What is the SMILES notation for indol-2-one;prop-2-enamide?
The canonical SMILES for indol-2-one;prop-2-enamide is C=CC(N)=O.O=C1C=c2ccccc2=N1.
What is the InChIKey of indol-2-one;prop-2-enamide?
The InChIKey is FHLHNMGLEJVEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO.C3H5NO/c10-8-5-6-3-1-2-4-7(6)9-8;1-2-3(4)5/h1-5H;2H,1H2,(H2,4,5).
What are the key properties of indol-2-one;prop-2-enamide?
indol-2-one;prop-2-enamide has a molecular weight of 202.21 g/mol, XLogP of -0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for indol-2-one;prop-2-enamide is sourced from PubChem (CID 158033348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).