2-[(E)-2-(dimethylamino)ethenyl]-5-fluoro-1-methylindole-3-carbaldehyde

C14H15FN2O — CID 59854617

IUPAC2-[(E)-2-(dimethylamino)ethenyl]-5-fluoro-1-methylindole-3-carbaldehyde
SMILESCN(C)/C=C/c1c(C=O)c2cc(F)ccc2n1C
InChIInChI=1S/C14H15FN2O/c1-16(2)7-6-14-12(9-18)11-8-10(15)4-5-13(11)17(14)3/h4-9H,1-3H3/b7-6+
InChIKeyUAKGOKCNJZKCIQ-VOTSOKGWSA-N
MW246.28 g/mol
LogP2.66
Rot. Bonds3

About 2-[(E)-2-(dimethylamino)ethenyl]-5-fluoro-1-methylindole-3-carbaldehyde

2-[(E)-2-(dimethylamino)ethenyl]-5-fluoro-1-methylindole-3-carbaldehyde (PubChem CID 59854617) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-[(E)-2-(dimethylamino)ethenyl]-5-fluoro-1-methylindole-3-carbaldehyde.

Molecular Properties

Compound Name2-[(E)-2-(dimethylamino)ethenyl]-5-fluoro-1-methylindole-3-carbaldehyde
PubChem CID59854617
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name2-[(E)-2-(dimethylamino)ethenyl]-5-fluoro-1-methylindole-3-carbaldehyde
SMILESCN(C)/C=C/c1c(C=O)c2cc(F)ccc2n1C
InChIInChI=1S/C14H15FN2O/c1-16(2)7-6-14-12(9-18)11-8-10(15)4-5-13(11)17(14)3/h4-9H,1-3H3/b7-6+
InChIKeyUAKGOKCNJZKCIQ-VOTSOKGWSA-N
XLogP2.66
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(dimethylamino)ethenyl]-5-fluoro-1-methylindole-3-carbaldehyde?
The IUPAC name of 2-[(E)-2-(dimethylamino)ethenyl]-5-fluoro-1-methylindole-3-carbaldehyde (CID 59854617) is 2-[(E)-2-(dimethylamino)ethenyl]-5-fluoro-1-methylindole-3-carbaldehyde.
What is the SMILES notation for 2-[(E)-2-(dimethylamino)ethenyl]-5-fluoro-1-methylindole-3-carbaldehyde?
The canonical SMILES for 2-[(E)-2-(dimethylamino)ethenyl]-5-fluoro-1-methylindole-3-carbaldehyde is CN(C)/C=C/c1c(C=O)c2cc(F)ccc2n1C.
What is the InChIKey of 2-[(E)-2-(dimethylamino)ethenyl]-5-fluoro-1-methylindole-3-carbaldehyde?
The InChIKey is UAKGOKCNJZKCIQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-16(2)7-6-14-12(9-18)11-8-10(15)4-5-13(11)17(14)3/h4-9H,1-3H3/b7-6+.
What are the key properties of 2-[(E)-2-(dimethylamino)ethenyl]-5-fluoro-1-methylindole-3-carbaldehyde?
2-[(E)-2-(dimethylamino)ethenyl]-5-fluoro-1-methylindole-3-carbaldehyde has a molecular weight of 246.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(dimethylamino)ethenyl]-5-fluoro-1-methylindole-3-carbaldehyde is sourced from PubChem (CID 59854617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).