(1-isoindol-2-yl-1-oxopropan-2-yl)carbamic acid

C12H12N2O3 — CID 122669533

IUPAC(1-isoindol-2-yl-1-oxopropan-2-yl)carbamic acid
SMILESCC(NC(=O)O)C(=O)n1cc2ccccc2c1
InChIInChI=1S/C12H12N2O3/c1-8(13-12(16)17)11(15)14-6-9-4-2-3-5-10(9)7-14/h2-8,13H,1H3,(H,16,17)
InChIKeyBMEAOIHHRFTANU-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.94
Rot. Bonds2

About (1-isoindol-2-yl-1-oxopropan-2-yl)carbamic acid

(1-isoindol-2-yl-1-oxopropan-2-yl)carbamic acid (PubChem CID 122669533) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is (1-isoindol-2-yl-1-oxopropan-2-yl)carbamic acid.

Molecular Properties

Compound Name(1-isoindol-2-yl-1-oxopropan-2-yl)carbamic acid
PubChem CID122669533
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name(1-isoindol-2-yl-1-oxopropan-2-yl)carbamic acid
SMILESCC(NC(=O)O)C(=O)n1cc2ccccc2c1
InChIInChI=1S/C12H12N2O3/c1-8(13-12(16)17)11(15)14-6-9-4-2-3-5-10(9)7-14/h2-8,13H,1H3,(H,16,17)
InChIKeyBMEAOIHHRFTANU-UHFFFAOYSA-N
XLogP1.94
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-isoindol-2-yl-1-oxopropan-2-yl)carbamic acid?
The IUPAC name of (1-isoindol-2-yl-1-oxopropan-2-yl)carbamic acid (CID 122669533) is (1-isoindol-2-yl-1-oxopropan-2-yl)carbamic acid.
What is the SMILES notation for (1-isoindol-2-yl-1-oxopropan-2-yl)carbamic acid?
The canonical SMILES for (1-isoindol-2-yl-1-oxopropan-2-yl)carbamic acid is CC(NC(=O)O)C(=O)n1cc2ccccc2c1.
What is the InChIKey of (1-isoindol-2-yl-1-oxopropan-2-yl)carbamic acid?
The InChIKey is BMEAOIHHRFTANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8(13-12(16)17)11(15)14-6-9-4-2-3-5-10(9)7-14/h2-8,13H,1H3,(H,16,17).
What are the key properties of (1-isoindol-2-yl-1-oxopropan-2-yl)carbamic acid?
(1-isoindol-2-yl-1-oxopropan-2-yl)carbamic acid has a molecular weight of 232.24 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-isoindol-2-yl-1-oxopropan-2-yl)carbamic acid is sourced from PubChem (CID 122669533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).