N-[1-(5-fluoro-1H-indol-2-yl)ethenyl]methanimine

C11H9FN2 — CID 138645478

IUPACN-[1-(5-fluoro-1H-indol-2-yl)ethenyl]methanimine
SMILESC=NC(=C)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C11H9FN2/c1-7(13-2)11-6-8-5-9(12)3-4-10(8)14-11/h3-6,14H,1-2H2
InChIKeyTYWDVSDPHNNYCO-UHFFFAOYSA-N
MW188.20 g/mol
LogP2.98
Rot. Bonds2

About N-[1-(5-fluoro-1H-indol-2-yl)ethenyl]methanimine

N-[1-(5-fluoro-1H-indol-2-yl)ethenyl]methanimine (PubChem CID 138645478) has the molecular formula C11H9FN2 and a molecular weight of 188.20 g/mol. Its IUPAC name is N-[1-(5-fluoro-1H-indol-2-yl)ethenyl]methanimine.

Molecular Properties

Compound NameN-[1-(5-fluoro-1H-indol-2-yl)ethenyl]methanimine
PubChem CID138645478
Molecular FormulaC11H9FN2
Molecular Weight188.20 g/mol
Exact Mass188.07
IUPAC NameN-[1-(5-fluoro-1H-indol-2-yl)ethenyl]methanimine
SMILESC=NC(=C)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C11H9FN2/c1-7(13-2)11-6-8-5-9(12)3-4-10(8)14-11/h3-6,14H,1-2H2
InChIKeyTYWDVSDPHNNYCO-UHFFFAOYSA-N
XLogP2.98
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(5-fluoro-1H-indol-2-yl)-2-hydroxyethanone
CID 146281441
2-chloro-1-(5-fluoro-1H-indol-2-yl)ethanone
CID 45081081
3-(5-fluoro-1H-indol-2-yl)-3-oxopropanoic acid
CID 170886871
1-(5-fluoro-1H-indol-2-yl)-2-(methylamino)ethanone
CID 82396041
2-bromo-5-fluoro-1H-indole
CID 84680101
6-fluoro-2-oxo-1H-quinoline-3-carbonitrile
CID 22690302
5-fluoro-N-[(3E)-2-(trifluoromethyl)hexa-1,3,5-trien-3-yl]-1H-indole-2-carboxamide
CID 142237646
N-(4-carbamoylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 46557885
3-(3-chlorophenyl)-1-(5-fluoro-1H-indol-2-yl)propan-1-one
CID 58125929
N-butyl-5-fluoro-N-methyl-1H-indole-2-carboxamide
CID 17019825
N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride
CID 44666094
3-[(5-fluoro-1H-indole-2-carbonyl)-methylamino]propanoic acid
CID 110834896

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-1H-indol-2-yl)ethenyl]methanimine?
The IUPAC name of N-[1-(5-fluoro-1H-indol-2-yl)ethenyl]methanimine (CID 138645478) is N-[1-(5-fluoro-1H-indol-2-yl)ethenyl]methanimine.
What is the SMILES notation for N-[1-(5-fluoro-1H-indol-2-yl)ethenyl]methanimine?
The canonical SMILES for N-[1-(5-fluoro-1H-indol-2-yl)ethenyl]methanimine is C=NC(=C)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of N-[1-(5-fluoro-1H-indol-2-yl)ethenyl]methanimine?
The InChIKey is TYWDVSDPHNNYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2/c1-7(13-2)11-6-8-5-9(12)3-4-10(8)14-11/h3-6,14H,1-2H2.
What are the key properties of N-[1-(5-fluoro-1H-indol-2-yl)ethenyl]methanimine?
N-[1-(5-fluoro-1H-indol-2-yl)ethenyl]methanimine has a molecular weight of 188.20 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-1H-indol-2-yl)ethenyl]methanimine is sourced from PubChem (CID 138645478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).