1-(1-hydroxycyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione

C10H9NO3 — CID 67545051

IUPAC1-(1-hydroxycyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C1(O)C=CC=CC1
InChIInChI=1S/C10H9NO3/c12-8-4-5-9(13)11(8)10(14)6-2-1-3-7-10/h1-6,14H,7H2
InChIKeyJZHJQEZSANLGLM-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.12
Rot. Bonds1

About 1-(1-hydroxycyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione

1-(1-hydroxycyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione (PubChem CID 67545051) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 1-(1-hydroxycyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(1-hydroxycyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione
PubChem CID67545051
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name1-(1-hydroxycyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C1(O)C=CC=CC1
InChIInChI=1S/C10H9NO3/c12-8-4-5-9(13)11(8)10(14)6-2-1-3-7-10/h1-6,14H,7H2
InChIKeyJZHJQEZSANLGLM-UHFFFAOYSA-N
XLogP0.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.12
H-Bond Donors ≤ 51
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-(1-hydroxycyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(1-hydroxycyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione (CID 67545051) is 1-(1-hydroxycyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(1-hydroxycyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(1-hydroxycyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione is O=C1C=CC(=O)N1C1(O)C=CC=CC1.
What is the InChIKey of 1-(1-hydroxycyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione?
The InChIKey is JZHJQEZSANLGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c12-8-4-5-9(13)11(8)10(14)6-2-1-3-7-10/h1-6,14H,7H2.
What are the key properties of 1-(1-hydroxycyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione?
1-(1-hydroxycyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione has a molecular weight of 191.19 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxycyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione is sourced from PubChem (CID 67545051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).