3,7-dihydroxy-2-prop-1-enyl-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione

C10H9NO5 — CID 73323900

IUPAC3,7-dihydroxy-2-prop-1-enyl-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione
SMILESCC=Cc1oc2c(c(=O)c1O)C(=O)NC2O
InChIInChI=1S/C10H9NO5/c1-2-3-4-6(12)7(13)5-8(16-4)10(15)11-9(5)14/h2-3,10,12,15H,1H3,(H,11,14)
InChIKeyOALBJWDVDNROSF-UHFFFAOYSA-N
MW223.18 g/mol
LogP0.11
Rot. Bonds1

About 3,7-dihydroxy-2-prop-1-enyl-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione

3,7-dihydroxy-2-prop-1-enyl-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione (PubChem CID 73323900) has the molecular formula C10H9NO5 and a molecular weight of 223.18 g/mol. Its IUPAC name is 3,7-dihydroxy-2-prop-1-enyl-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione.

Molecular Properties

Compound Name3,7-dihydroxy-2-prop-1-enyl-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione
PubChem CID73323900
Molecular FormulaC10H9NO5
Molecular Weight223.18 g/mol
Exact Mass223.05
IUPAC Name3,7-dihydroxy-2-prop-1-enyl-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione
SMILESCC=Cc1oc2c(c(=O)c1O)C(=O)NC2O
InChIInChI=1S/C10H9NO5/c1-2-3-4-6(12)7(13)5-8(16-4)10(15)11-9(5)14/h2-3,10,12,15H,1H3,(H,11,14)
InChIKeyOALBJWDVDNROSF-UHFFFAOYSA-N
XLogP0.11
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3,7-dihydroxy-2-prop-1-enyl-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,7-dihydroxy-2-prop-1-enyl-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione?
The IUPAC name of 3,7-dihydroxy-2-prop-1-enyl-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione (CID 73323900) is 3,7-dihydroxy-2-prop-1-enyl-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione.
What is the SMILES notation for 3,7-dihydroxy-2-prop-1-enyl-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione?
The canonical SMILES for 3,7-dihydroxy-2-prop-1-enyl-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione is CC=Cc1oc2c(c(=O)c1O)C(=O)NC2O.
What is the InChIKey of 3,7-dihydroxy-2-prop-1-enyl-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione?
The InChIKey is OALBJWDVDNROSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO5/c1-2-3-4-6(12)7(13)5-8(16-4)10(15)11-9(5)14/h2-3,10,12,15H,1H3,(H,11,14).
What are the key properties of 3,7-dihydroxy-2-prop-1-enyl-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione?
3,7-dihydroxy-2-prop-1-enyl-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione has a molecular weight of 223.18 g/mol, XLogP of 0.11, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dihydroxy-2-prop-1-enyl-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione is sourced from PubChem (CID 73323900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).