(1,3-dioxoisoindol-4-yl)carbamic acid

C9H6N2O4 — CID 69050787

IUPAC(1,3-dioxoisoindol-4-yl)carbamic acid
SMILESO=C(O)Nc1cccc2c1C(=O)NC2=O
InChIInChI=1S/C9H6N2O4/c12-7-4-2-1-3-5(10-9(14)15)6(4)8(13)11-7/h1-3,10H,(H,14,15)(H,11,12,13)
InChIKeyQXAJQPZJURZNEZ-UHFFFAOYSA-N
MW206.16 g/mol
LogP0.66
Rot. Bonds1

About (1,3-dioxoisoindol-4-yl)carbamic acid

(1,3-dioxoisoindol-4-yl)carbamic acid (PubChem CID 69050787) has the molecular formula C9H6N2O4 and a molecular weight of 206.16 g/mol. Its IUPAC name is (1,3-dioxoisoindol-4-yl)carbamic acid.

Molecular Properties

Compound Name(1,3-dioxoisoindol-4-yl)carbamic acid
PubChem CID69050787
Molecular FormulaC9H6N2O4
Molecular Weight206.16 g/mol
Exact Mass206.03
IUPAC Name(1,3-dioxoisoindol-4-yl)carbamic acid
SMILESO=C(O)Nc1cccc2c1C(=O)NC2=O
InChIInChI=1S/C9H6N2O4/c12-7-4-2-1-3-5(10-9(14)15)6(4)8(13)11-7/h1-3,10H,(H,14,15)(H,11,12,13)
InChIKeyQXAJQPZJURZNEZ-UHFFFAOYSA-N
XLogP0.66
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-4-yl)carbamic acid?
The IUPAC name of (1,3-dioxoisoindol-4-yl)carbamic acid (CID 69050787) is (1,3-dioxoisoindol-4-yl)carbamic acid.
What is the SMILES notation for (1,3-dioxoisoindol-4-yl)carbamic acid?
The canonical SMILES for (1,3-dioxoisoindol-4-yl)carbamic acid is O=C(O)Nc1cccc2c1C(=O)NC2=O.
What is the InChIKey of (1,3-dioxoisoindol-4-yl)carbamic acid?
The InChIKey is QXAJQPZJURZNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O4/c12-7-4-2-1-3-5(10-9(14)15)6(4)8(13)11-7/h1-3,10H,(H,14,15)(H,11,12,13).
What are the key properties of (1,3-dioxoisoindol-4-yl)carbamic acid?
(1,3-dioxoisoindol-4-yl)carbamic acid has a molecular weight of 206.16 g/mol, XLogP of 0.66, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-4-yl)carbamic acid is sourced from PubChem (CID 69050787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).