(4-cyano-1H-indol-2-yl)-methylcarbamic acid

C11H9N3O2 — CID 118141360

IUPAC(4-cyano-1H-indol-2-yl)-methylcarbamic acid
SMILESCN(C(=O)O)c1cc2c(C#N)cccc2[nH]1
InChIInChI=1S/C11H9N3O2/c1-14(11(15)16)10-5-8-7(6-12)3-2-4-9(8)13-10/h2-5,13H,1H3,(H,15,16)
InChIKeyKTDWSRDJSRGTMX-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.15
Rot. Bonds1

About (4-cyano-1H-indol-2-yl)-methylcarbamic acid

(4-cyano-1H-indol-2-yl)-methylcarbamic acid (PubChem CID 118141360) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is (4-cyano-1H-indol-2-yl)-methylcarbamic acid.

Molecular Properties

Compound Name(4-cyano-1H-indol-2-yl)-methylcarbamic acid
PubChem CID118141360
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name(4-cyano-1H-indol-2-yl)-methylcarbamic acid
SMILESCN(C(=O)O)c1cc2c(C#N)cccc2[nH]1
InChIInChI=1S/C11H9N3O2/c1-14(11(15)16)10-5-8-7(6-12)3-2-4-9(8)13-10/h2-5,13H,1H3,(H,15,16)
InChIKeyKTDWSRDJSRGTMX-UHFFFAOYSA-N
XLogP2.15
TPSA80.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-cyano-1H-indol-2-yl)-methylcarbamic acid?
The IUPAC name of (4-cyano-1H-indol-2-yl)-methylcarbamic acid (CID 118141360) is (4-cyano-1H-indol-2-yl)-methylcarbamic acid.
What is the SMILES notation for (4-cyano-1H-indol-2-yl)-methylcarbamic acid?
The canonical SMILES for (4-cyano-1H-indol-2-yl)-methylcarbamic acid is CN(C(=O)O)c1cc2c(C#N)cccc2[nH]1.
What is the InChIKey of (4-cyano-1H-indol-2-yl)-methylcarbamic acid?
The InChIKey is KTDWSRDJSRGTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c1-14(11(15)16)10-5-8-7(6-12)3-2-4-9(8)13-10/h2-5,13H,1H3,(H,15,16).
What are the key properties of (4-cyano-1H-indol-2-yl)-methylcarbamic acid?
(4-cyano-1H-indol-2-yl)-methylcarbamic acid has a molecular weight of 215.21 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyano-1H-indol-2-yl)-methylcarbamic acid is sourced from PubChem (CID 118141360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).