3-hydroxy-3-prop-2-enyl-2H-isoindol-1-one

C11H11NO2 — CID 14902933

IUPAC3-hydroxy-3-prop-2-enyl-2H-isoindol-1-one
SMILESC=CCC1(O)NC(=O)c2ccccc21
InChIInChI=1S/C11H11NO2/c1-2-7-11(14)9-6-4-3-5-8(9)10(13)12-11/h2-6,14H,1,7H2,(H,12,13)
InChIKeyPMENCEUWMSSGRS-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.15
Rot. Bonds2

About 3-hydroxy-3-prop-2-enyl-2H-isoindol-1-one

3-hydroxy-3-prop-2-enyl-2H-isoindol-1-one (PubChem CID 14902933) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-hydroxy-3-prop-2-enyl-2H-isoindol-1-one.

Molecular Properties

Compound Name3-hydroxy-3-prop-2-enyl-2H-isoindol-1-one
PubChem CID14902933
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name3-hydroxy-3-prop-2-enyl-2H-isoindol-1-one
SMILESC=CCC1(O)NC(=O)c2ccccc21
InChIInChI=1S/C11H11NO2/c1-2-7-11(14)9-6-4-3-5-8(9)10(13)12-11/h2-6,14H,1,7H2,(H,12,13)
InChIKeyPMENCEUWMSSGRS-UHFFFAOYSA-N
XLogP1.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-hydroxy-3-prop-2-enyl-2H-isoindol-1-one 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

3-hydroxy-3-[(N-methylanilino)methyl]-2H-isoindol-1-one
CID 12996970
3-hydroxy-3-(3-phenoxypropyl)-2H-isoindol-1-one
CID 102212761
(3R)-3-hydroxy-3-propan-2-yl-2H-isoindol-1-one
CID 124705216
11-ethenyl-11-hydroxy-5H-benzo[c][1]benzazepin-6-one
CID 70384531
(3R)-3-hydroxy-3-(1H-imidazol-2-yl)-2H-isoindol-1-one
CID 869361
3-methylidene-1-prop-2-enyl-2H-inden-1-ol
CID 86041926
2-(9-prop-2-enylfluoren-9-yl)ethanol
CID 11391058
(2S)-2-(2-bromophenyl)-2-prop-2-enyl-1H-indol-3-one
CID 101241045
3a,8b-dihydroxy-1-prop-2-enyl-3H-indeno[1,2-d]imidazole-2,4-dione
CID 3131057
(2R)-2-hydroxy-2-prop-2-enyl-3,4-dihydronaphthalen-1-one
CID 100988945
isoindole-1,3-dione;pent-4-en-1-ol
CID 142866906
1-chloro-9,9-bis(prop-2-enyl)fluorene
CID 174649432

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-prop-2-enyl-2H-isoindol-1-one?
The IUPAC name of 3-hydroxy-3-prop-2-enyl-2H-isoindol-1-one (CID 14902933) is 3-hydroxy-3-prop-2-enyl-2H-isoindol-1-one.
What is the SMILES notation for 3-hydroxy-3-prop-2-enyl-2H-isoindol-1-one?
The canonical SMILES for 3-hydroxy-3-prop-2-enyl-2H-isoindol-1-one is C=CCC1(O)NC(=O)c2ccccc21.
What is the InChIKey of 3-hydroxy-3-prop-2-enyl-2H-isoindol-1-one?
The InChIKey is PMENCEUWMSSGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-2-7-11(14)9-6-4-3-5-8(9)10(13)12-11/h2-6,14H,1,7H2,(H,12,13).
What are the key properties of 3-hydroxy-3-prop-2-enyl-2H-isoindol-1-one?
3-hydroxy-3-prop-2-enyl-2H-isoindol-1-one has a molecular weight of 189.21 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-prop-2-enyl-2H-isoindol-1-one is sourced from PubChem (CID 14902933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).