1'-(3-oxo-3-phenylpropyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one

C19H17NO4 — CID 644594

IUPAC1'-(3-oxo-3-phenylpropyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C(CCN1C(=O)C2(OCCO2)c2ccccc21)c1ccccc1
InChIInChI=1S/C19H17NO4/c21-17(14-6-2-1-3-7-14)10-11-20-16-9-5-4-8-15(16)19(18(20)22)23-12-13-24-19/h1-9H,10-13H2
InChIKeyCHALIOINHRHPDO-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.51
Rot. Bonds4

About 1'-(3-oxo-3-phenylpropyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one

1'-(3-oxo-3-phenylpropyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 644594) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 1'-(3-oxo-3-phenylpropyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(3-oxo-3-phenylpropyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID644594
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name1'-(3-oxo-3-phenylpropyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C(CCN1C(=O)C2(OCCO2)c2ccccc21)c1ccccc1
InChIInChI=1S/C19H17NO4/c21-17(14-6-2-1-3-7-14)10-11-20-16-9-5-4-8-15(16)19(18(20)22)23-12-13-24-19/h1-9H,10-13H2
InChIKeyCHALIOINHRHPDO-UHFFFAOYSA-N
XLogP2.51
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(3-oxo-3-phenylpropyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 1'-(3-oxo-3-phenylpropyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 644594) is 1'-(3-oxo-3-phenylpropyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-(3-oxo-3-phenylpropyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-(3-oxo-3-phenylpropyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one is O=C(CCN1C(=O)C2(OCCO2)c2ccccc21)c1ccccc1.
What is the InChIKey of 1'-(3-oxo-3-phenylpropyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is CHALIOINHRHPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c21-17(14-6-2-1-3-7-14)10-11-20-16-9-5-4-8-15(16)19(18(20)22)23-12-13-24-19/h1-9H,10-13H2.
What are the key properties of 1'-(3-oxo-3-phenylpropyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
1'-(3-oxo-3-phenylpropyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 323.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-oxo-3-phenylpropyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 644594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).