(1,3-dioxoisoindol-2-yl)-methylcarbamic acid

C10H8N2O4 — CID 70639006

IUPAC(1,3-dioxoisoindol-2-yl)-methylcarbamic acid
SMILESCN(C(=O)O)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H8N2O4/c1-11(10(15)16)12-8(13)6-4-2-3-5-7(6)9(12)14/h2-5H,1H3,(H,15,16)
InChIKeyZSNPYLOTAYGJKQ-UHFFFAOYSA-N
MW220.18 g/mol
LogP0.81
Rot. Bonds1

About (1,3-dioxoisoindol-2-yl)-methylcarbamic acid

(1,3-dioxoisoindol-2-yl)-methylcarbamic acid (PubChem CID 70639006) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl)-methylcarbamic acid.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl)-methylcarbamic acid
PubChem CID70639006
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name(1,3-dioxoisoindol-2-yl)-methylcarbamic acid
SMILESCN(C(=O)O)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H8N2O4/c1-11(10(15)16)12-8(13)6-4-2-3-5-7(6)9(12)14/h2-5H,1H3,(H,15,16)
InChIKeyZSNPYLOTAYGJKQ-UHFFFAOYSA-N
XLogP0.81
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1,3-dioxoisoindol-2-yl)-methylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-dioxoisoindol-2-yl)-2-methoxy-N-methylbenzamide
CID 168908077
methyl N-(1,3-dioxoisoindol-2-yl)-N-methyl-N'-phenylcarbamimidothioate;hydroiodide
CID 12768104
N-(1,3-dioxoisoindol-2-yl)-N-methyl-2-methylsulfinylbenzamide
CID 168908039
N-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide
CID 139187245
N-(2-bromophenyl)-N-(1,3-dioxoisoindol-2-yl)acetamide
CID 135027805
S-ethyl N-benzyl-N-(1,3-dioxoisoindol-2-yl)carbamothioate
CID 155280964
tert-butyl N-(1,3-dioxoisoindol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 11793055
1-(diaminomethylideneamino)propyl-(1,3-dioxoisoindol-2-yl)carbamic acid
CID 155269480
3-[(1,3-dioxoisoindol-2-yl)methyl-methylamino]propanoic acid
CID 60987323
N-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylacetamide
CID 12815728
2-(dimethylamino)-4H-isoquinoline-1,3-dione
CID 13362905
benzyl N-benzyl-N-(1,3-dioxoisoindol-2-yl)carbamate
CID 10548187

Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl)-methylcarbamic acid?
The IUPAC name of (1,3-dioxoisoindol-2-yl)-methylcarbamic acid (CID 70639006) is (1,3-dioxoisoindol-2-yl)-methylcarbamic acid.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl)-methylcarbamic acid?
The canonical SMILES for (1,3-dioxoisoindol-2-yl)-methylcarbamic acid is CN(C(=O)O)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (1,3-dioxoisoindol-2-yl)-methylcarbamic acid?
The InChIKey is ZSNPYLOTAYGJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c1-11(10(15)16)12-8(13)6-4-2-3-5-7(6)9(12)14/h2-5H,1H3,(H,15,16).
What are the key properties of (1,3-dioxoisoindol-2-yl)-methylcarbamic acid?
(1,3-dioxoisoindol-2-yl)-methylcarbamic acid has a molecular weight of 220.18 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl)-methylcarbamic acid is sourced from PubChem (CID 70639006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).