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

C15H17NO4 — CID 3245741

IUPAC1'-(2-oxopentyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCCCC(=O)CN1C(=O)C2(OCCO2)c2ccccc21
InChIInChI=1S/C15H17NO4/c1-2-5-11(17)10-16-13-7-4-3-6-12(13)15(14(16)18)19-8-9-20-15/h3-4,6-7H,2,5,8-10H2,1H3
InChIKeyNWVKMJZFOQNWIC-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.60
Rot. Bonds4

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

1'-(2-oxopentyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 3245741) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 1'-(2-oxopentyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(2-oxopentyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID3245741
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name1'-(2-oxopentyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCCCC(=O)CN1C(=O)C2(OCCO2)c2ccccc21
InChIInChI=1S/C15H17NO4/c1-2-5-11(17)10-16-13-7-4-3-6-12(13)15(14(16)18)19-8-9-20-15/h3-4,6-7H,2,5,8-10H2,1H3
InChIKeyNWVKMJZFOQNWIC-UHFFFAOYSA-N
XLogP1.60
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-oxopentyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 1'-(2-oxopentyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 3245741) is 1'-(2-oxopentyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-(2-oxopentyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-(2-oxopentyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one is CCCC(=O)CN1C(=O)C2(OCCO2)c2ccccc21.
What is the InChIKey of 1'-(2-oxopentyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is NWVKMJZFOQNWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-2-5-11(17)10-16-13-7-4-3-6-12(13)15(14(16)18)19-8-9-20-15/h3-4,6-7H,2,5,8-10H2,1H3.
What are the key properties of 1'-(2-oxopentyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
1'-(2-oxopentyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 275.30 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-oxopentyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 3245741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).