4-(1,3-benzodioxol-5-yl)pyrrolidin-2-one

C11H11NO3 — CID 659516

IUPAC4-(1,3-benzodioxol-5-yl)pyrrolidin-2-one
SMILESO=C1CC(c2ccc3c(c2)OCO3)CN1
InChIInChI=1S/C11H11NO3/c13-11-4-8(5-12-11)7-1-2-9-10(3-7)15-6-14-9/h1-3,8H,4-6H2,(H,12,13)
InChIKeyTUCXDHYZZAZWLO-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.02
Rot. Bonds1

About 4-(1,3-benzodioxol-5-yl)pyrrolidin-2-one

4-(1,3-benzodioxol-5-yl)pyrrolidin-2-one (PubChem CID 659516) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)pyrrolidin-2-one
PubChem CID659516
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name4-(1,3-benzodioxol-5-yl)pyrrolidin-2-one
SMILESO=C1CC(c2ccc3c(c2)OCO3)CN1
InChIInChI=1S/C11H11NO3/c13-11-4-8(5-12-11)7-1-2-9-10(3-7)15-6-14-9/h1-3,8H,4-6H2,(H,12,13)
InChIKeyTUCXDHYZZAZWLO-UHFFFAOYSA-N
XLogP1.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 21580214
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CID 10934249
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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)pyrrolidin-2-one?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)pyrrolidin-2-one (CID 659516) is 4-(1,3-benzodioxol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)pyrrolidin-2-one is O=C1CC(c2ccc3c(c2)OCO3)CN1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)pyrrolidin-2-one?
The InChIKey is TUCXDHYZZAZWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-11-4-8(5-12-11)7-1-2-9-10(3-7)15-6-14-9/h1-3,8H,4-6H2,(H,12,13).
What are the key properties of 4-(1,3-benzodioxol-5-yl)pyrrolidin-2-one?
4-(1,3-benzodioxol-5-yl)pyrrolidin-2-one has a molecular weight of 205.21 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 659516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).