1H-indol-2-ylmethylcarbamic acid

C10H10N2O2 — CID 68691362

IUPAC1H-indol-2-ylmethylcarbamic acid
SMILESO=C(O)NCc1cc2ccccc2[nH]1
InChIInChI=1S/C10H10N2O2/c13-10(14)11-6-8-5-7-3-1-2-4-9(7)12-8/h1-5,11-12H,6H2,(H,13,14)
InChIKeyVFIZONJLLQVJJS-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.94
Rot. Bonds2

About 1H-indol-2-ylmethylcarbamic acid

1H-indol-2-ylmethylcarbamic acid (PubChem CID 68691362) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1H-indol-2-ylmethylcarbamic acid.

Molecular Properties

Compound Name1H-indol-2-ylmethylcarbamic acid
PubChem CID68691362
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1H-indol-2-ylmethylcarbamic acid
SMILESO=C(O)NCc1cc2ccccc2[nH]1
InChIInChI=1S/C10H10N2O2/c13-10(14)11-6-8-5-7-3-1-2-4-9(7)12-8/h1-5,11-12H,6H2,(H,13,14)
InChIKeyVFIZONJLLQVJJS-UHFFFAOYSA-N
XLogP1.94
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-ylmethylcarbamic acid?
The IUPAC name of 1H-indol-2-ylmethylcarbamic acid (CID 68691362) is 1H-indol-2-ylmethylcarbamic acid.
What is the SMILES notation for 1H-indol-2-ylmethylcarbamic acid?
The canonical SMILES for 1H-indol-2-ylmethylcarbamic acid is O=C(O)NCc1cc2ccccc2[nH]1.
What is the InChIKey of 1H-indol-2-ylmethylcarbamic acid?
The InChIKey is VFIZONJLLQVJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c13-10(14)11-6-8-5-7-3-1-2-4-9(7)12-8/h1-5,11-12H,6H2,(H,13,14).
What are the key properties of 1H-indol-2-ylmethylcarbamic acid?
1H-indol-2-ylmethylcarbamic acid has a molecular weight of 190.20 g/mol, XLogP of 1.94, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-ylmethylcarbamic acid is sourced from PubChem (CID 68691362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).