3-[(E)-2-chloro-3-iminoprop-1-enyl]-5-fluoro-1H-indol-2-ol

C11H8ClFN2O — CID 137300476

IUPAC3-[(E)-2-chloro-3-iminoprop-1-enyl]-5-fluoro-1H-indol-2-ol
SMILES[H]/N=C\C(Cl)=C/c1c(O)[nH]c2ccc(F)cc12
InChIInChI=1S/C11H8ClFN2O/c12-6(5-14)3-9-8-4-7(13)1-2-10(8)15-11(9)16/h1-5,14-16H/b6-3+,14-5-
InChIKeyJFMDSJPMRIAWIM-BDTQIVJQSA-N
MW238.65 g/mol
LogP3.24
Rot. Bonds2

About 3-[(E)-2-chloro-3-iminoprop-1-enyl]-5-fluoro-1H-indol-2-ol

3-[(E)-2-chloro-3-iminoprop-1-enyl]-5-fluoro-1H-indol-2-ol (PubChem CID 137300476) has the molecular formula C11H8ClFN2O and a molecular weight of 238.65 g/mol. Its IUPAC name is 3-[(E)-2-chloro-3-iminoprop-1-enyl]-5-fluoro-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(E)-2-chloro-3-iminoprop-1-enyl]-5-fluoro-1H-indol-2-ol
PubChem CID137300476
Molecular FormulaC11H8ClFN2O
Molecular Weight238.65 g/mol
Exact Mass238.03
IUPAC Name3-[(E)-2-chloro-3-iminoprop-1-enyl]-5-fluoro-1H-indol-2-ol
SMILES[H]/N=C\C(Cl)=C/c1c(O)[nH]c2ccc(F)cc12
InChIInChI=1S/C11H8ClFN2O/c12-6(5-14)3-9-8-4-7(13)1-2-10(8)15-11(9)16/h1-5,14-16H/b6-3+,14-5-
InChIKeyJFMDSJPMRIAWIM-BDTQIVJQSA-N
XLogP3.24
TPSA59.87 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Serotonin
CID 5202
Serotonin Hydrochloride
CID 160436
N-Methylserotonin
CID 150885
2-methyl-5-HT
CID 1574
Npc327132
CID 4048638
3H-Pyrido(3,4-b)indol-7-ol, 4,9-dihydro-1-methyl-, hydrochloride (1:1)
CID 145825
Indirubin deriv. 8h
CID 135434954
3-(2-Dimethylamino-ethyl)-2-methyl-1H-indol-4-ol
CID 44404892
Indirubin deriv. 9b
CID 135434955
Indirubin-3-methoxime
CID 136043836
Indirubin-3-acetoxime
CID 136043837
3-(anilinomethylidene)-1H-indol-2-one
CID 417125

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-chloro-3-iminoprop-1-enyl]-5-fluoro-1H-indol-2-ol?
The IUPAC name of 3-[(E)-2-chloro-3-iminoprop-1-enyl]-5-fluoro-1H-indol-2-ol (CID 137300476) is 3-[(E)-2-chloro-3-iminoprop-1-enyl]-5-fluoro-1H-indol-2-ol.
What is the SMILES notation for 3-[(E)-2-chloro-3-iminoprop-1-enyl]-5-fluoro-1H-indol-2-ol?
The canonical SMILES for 3-[(E)-2-chloro-3-iminoprop-1-enyl]-5-fluoro-1H-indol-2-ol is [H]/N=C\C(Cl)=C/c1c(O)[nH]c2ccc(F)cc12.
What is the InChIKey of 3-[(E)-2-chloro-3-iminoprop-1-enyl]-5-fluoro-1H-indol-2-ol?
The InChIKey is JFMDSJPMRIAWIM-BDTQIVJQSA-N. The full InChI is InChI=1S/C11H8ClFN2O/c12-6(5-14)3-9-8-4-7(13)1-2-10(8)15-11(9)16/h1-5,14-16H/b6-3+,14-5-.
What are the key properties of 3-[(E)-2-chloro-3-iminoprop-1-enyl]-5-fluoro-1H-indol-2-ol?
3-[(E)-2-chloro-3-iminoprop-1-enyl]-5-fluoro-1H-indol-2-ol has a molecular weight of 238.65 g/mol, XLogP of 3.24, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-chloro-3-iminoprop-1-enyl]-5-fluoro-1H-indol-2-ol is sourced from PubChem (CID 137300476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).