3-(6-fluoro-1H-indol-3-yl)prop-2-enamide

C11H9FN2O — CID 169482966

IUPAC3-(6-fluoro-1H-indol-3-yl)prop-2-enamide
SMILESNC(=O)C=Cc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C11H9FN2O/c12-8-2-3-9-7(1-4-11(13)15)6-14-10(9)5-8/h1-6,14H,(H2,13,15)
InChIKeyGGNWRZIYRZKAJR-UHFFFAOYSA-N
MW204.20 g/mol
LogP1.81
Rot. Bonds2

About 3-(6-fluoro-1H-indol-3-yl)prop-2-enamide

3-(6-fluoro-1H-indol-3-yl)prop-2-enamide (PubChem CID 169482966) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is 3-(6-fluoro-1H-indol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(6-fluoro-1H-indol-3-yl)prop-2-enamide
PubChem CID169482966
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name3-(6-fluoro-1H-indol-3-yl)prop-2-enamide
SMILESNC(=O)C=Cc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C11H9FN2O/c12-8-2-3-9-7(1-4-11(13)15)6-14-10(9)5-8/h1-6,14H,(H2,13,15)
InChIKeyGGNWRZIYRZKAJR-UHFFFAOYSA-N
XLogP1.81
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(6-methyl-1H-indol-3-yl)prop-2-enamide
CID 170876576
6-fluoro-3-[(Z)-2-nitroethenyl]-1H-indole
CID 124637317
ethyl (E)-3-(5-fluoro-1H-indol-3-yl)prop-2-enoate
CID 171922360
3-(1H-indol-3-yl)prop-2-enamide;propanoic acid
CID 174449864
2-(3-amino-3-oxoprop-1-enyl)-4-fluorobenzoic acid
CID 169481992
(E)-3-[5-(7-fluoroquinolin-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 118267845
(E)-3-(6-bromo-1H-indol-3-yl)prop-2-enoic acid
CID 14847255
2-[2-(3-amino-3-oxoprop-1-enyl)-5-fluorophenyl]acetic acid
CID 169482218
3-[2-(aminomethyl)-5-fluorophenyl]prop-2-enamide
CID 169481768
3-(6-bromo-1H-indol-3-yl)-N-(3-fluorophenyl)prop-2-enamide
CID 172907290
(E)-2-(6-fluoro-1H-indole-3-carbonyl)-3-(6-fluoro-1H-indol-3-yl)prop-2-enenitrile
CID 118715226
6-fluoro-1H-indole-3-carbohydrazide
CID 129321028

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1H-indol-3-yl)prop-2-enamide?
The IUPAC name of 3-(6-fluoro-1H-indol-3-yl)prop-2-enamide (CID 169482966) is 3-(6-fluoro-1H-indol-3-yl)prop-2-enamide.
What is the SMILES notation for 3-(6-fluoro-1H-indol-3-yl)prop-2-enamide?
The canonical SMILES for 3-(6-fluoro-1H-indol-3-yl)prop-2-enamide is NC(=O)C=Cc1c[nH]c2cc(F)ccc12.
What is the InChIKey of 3-(6-fluoro-1H-indol-3-yl)prop-2-enamide?
The InChIKey is GGNWRZIYRZKAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c12-8-2-3-9-7(1-4-11(13)15)6-14-10(9)5-8/h1-6,14H,(H2,13,15).
What are the key properties of 3-(6-fluoro-1H-indol-3-yl)prop-2-enamide?
3-(6-fluoro-1H-indol-3-yl)prop-2-enamide has a molecular weight of 204.20 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1H-indol-3-yl)prop-2-enamide is sourced from PubChem (CID 169482966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).