1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one

C13H13NO3 — CID 59397864

IUPAC1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one
SMILESO=c1ccc2ccccc2n1CC1OCCO1
InChIInChI=1S/C13H13NO3/c15-12-6-5-10-3-1-2-4-11(10)14(12)9-13-16-7-8-17-13/h1-6,13H,7-9H2
InChIKeyXTEFAZXKWTUFEL-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.37
Rot. Bonds2

About 1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one

1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one (PubChem CID 59397864) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one
PubChem CID59397864
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one
SMILESO=c1ccc2ccccc2n1CC1OCCO1
InChIInChI=1S/C13H13NO3/c15-12-6-5-10-3-1-2-4-11(10)14(12)9-13-16-7-8-17-13/h1-6,13H,7-9H2
InChIKeyXTEFAZXKWTUFEL-UHFFFAOYSA-N
XLogP1.37
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one?
The IUPAC name of 1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one (CID 59397864) is 1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one.
What is the SMILES notation for 1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one?
The canonical SMILES for 1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one is O=c1ccc2ccccc2n1CC1OCCO1.
What is the InChIKey of 1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one?
The InChIKey is XTEFAZXKWTUFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-12-6-5-10-3-1-2-4-11(10)14(12)9-13-16-7-8-17-13/h1-6,13H,7-9H2.
What are the key properties of 1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one?
1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one has a molecular weight of 231.25 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-ylmethyl)quinolin-2-one is sourced from PubChem (CID 59397864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).