(4-fluoro-1H-indol-5-yl) N-methylcarbamate

C10H9FN2O2 — CID 175335995

IUPAC(4-fluoro-1H-indol-5-yl) N-methylcarbamate
SMILESCNC(=O)Oc1ccc2[nH]ccc2c1F
InChIInChI=1S/C10H9FN2O2/c1-12-10(14)15-8-3-2-7-6(9(8)11)4-5-13-7/h2-5,13H,1H3,(H,12,14)
InChIKeyVVLZXNWBGNZHFX-UHFFFAOYSA-N
MW208.19 g/mol
LogP2.03
Rot. Bonds1

About (4-fluoro-1H-indol-5-yl) N-methylcarbamate

(4-fluoro-1H-indol-5-yl) N-methylcarbamate (PubChem CID 175335995) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is (4-fluoro-1H-indol-5-yl) N-methylcarbamate.

Molecular Properties

Compound Name(4-fluoro-1H-indol-5-yl) N-methylcarbamate
PubChem CID175335995
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name(4-fluoro-1H-indol-5-yl) N-methylcarbamate
SMILESCNC(=O)Oc1ccc2[nH]ccc2c1F
InChIInChI=1S/C10H9FN2O2/c1-12-10(14)15-8-3-2-7-6(9(8)11)4-5-13-7/h2-5,13H,1H3,(H,12,14)
InChIKeyVVLZXNWBGNZHFX-UHFFFAOYSA-N
XLogP2.03
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1H-indol-5-yl) N-methylcarbamate?
The IUPAC name of (4-fluoro-1H-indol-5-yl) N-methylcarbamate (CID 175335995) is (4-fluoro-1H-indol-5-yl) N-methylcarbamate.
What is the SMILES notation for (4-fluoro-1H-indol-5-yl) N-methylcarbamate?
The canonical SMILES for (4-fluoro-1H-indol-5-yl) N-methylcarbamate is CNC(=O)Oc1ccc2[nH]ccc2c1F.
What is the InChIKey of (4-fluoro-1H-indol-5-yl) N-methylcarbamate?
The InChIKey is VVLZXNWBGNZHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-12-10(14)15-8-3-2-7-6(9(8)11)4-5-13-7/h2-5,13H,1H3,(H,12,14).
What are the key properties of (4-fluoro-1H-indol-5-yl) N-methylcarbamate?
(4-fluoro-1H-indol-5-yl) N-methylcarbamate has a molecular weight of 208.19 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1H-indol-5-yl) N-methylcarbamate is sourced from PubChem (CID 175335995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).