1-[3-(oxolan-2-yl)propyl]indole-2,3-dione

C15H17NO3 — CID 65162625

IUPAC1-[3-(oxolan-2-yl)propyl]indole-2,3-dione
SMILESO=C1C(=O)N(CCCC2CCCO2)c2ccccc21
InChIInChI=1S/C15H17NO3/c17-14-12-7-1-2-8-13(12)16(15(14)18)9-3-5-11-6-4-10-19-11/h1-2,7-8,11H,3-6,9-10H2
InChIKeyYBJUTCQIVVXKQS-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.18
Rot. Bonds4

About 1-[3-(oxolan-2-yl)propyl]indole-2,3-dione

1-[3-(oxolan-2-yl)propyl]indole-2,3-dione (PubChem CID 65162625) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-[3-(oxolan-2-yl)propyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[3-(oxolan-2-yl)propyl]indole-2,3-dione
PubChem CID65162625
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name1-[3-(oxolan-2-yl)propyl]indole-2,3-dione
SMILESO=C1C(=O)N(CCCC2CCCO2)c2ccccc21
InChIInChI=1S/C15H17NO3/c17-14-12-7-1-2-8-13(12)16(15(14)18)9-3-5-11-6-4-10-19-11/h1-2,7-8,11H,3-6,9-10H2
InChIKeyYBJUTCQIVVXKQS-UHFFFAOYSA-N
XLogP2.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxolan-2-yl)propyl]indole-2,3-dione?
The IUPAC name of 1-[3-(oxolan-2-yl)propyl]indole-2,3-dione (CID 65162625) is 1-[3-(oxolan-2-yl)propyl]indole-2,3-dione.
What is the SMILES notation for 1-[3-(oxolan-2-yl)propyl]indole-2,3-dione?
The canonical SMILES for 1-[3-(oxolan-2-yl)propyl]indole-2,3-dione is O=C1C(=O)N(CCCC2CCCO2)c2ccccc21.
What is the InChIKey of 1-[3-(oxolan-2-yl)propyl]indole-2,3-dione?
The InChIKey is YBJUTCQIVVXKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-14-12-7-1-2-8-13(12)16(15(14)18)9-3-5-11-6-4-10-19-11/h1-2,7-8,11H,3-6,9-10H2.
What are the key properties of 1-[3-(oxolan-2-yl)propyl]indole-2,3-dione?
1-[3-(oxolan-2-yl)propyl]indole-2,3-dione has a molecular weight of 259.30 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxolan-2-yl)propyl]indole-2,3-dione is sourced from PubChem (CID 65162625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).