1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxypyrrolidine-2-carboxamide

C14H16N2O5 — CID 19011705

IUPAC1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(O)CN1C(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H16N2O5/c15-13(18)10-6-9(17)7-16(10)14(19)8-1-2-11-12(5-8)21-4-3-20-11/h1-2,5,9-10,17H,3-4,6-7H2,(H2,15,18)
InChIKeyUKGLFJAOSSGOSW-UHFFFAOYSA-N
MW292.29 g/mol
LogP-0.48
Rot. Bonds2

About 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxypyrrolidine-2-carboxamide

1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 19011705) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxypyrrolidine-2-carboxamide
PubChem CID19011705
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(O)CN1C(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H16N2O5/c15-13(18)10-6-9(17)7-16(10)14(19)8-1-2-11-12(5-8)21-4-3-20-11/h1-2,5,9-10,17H,3-4,6-7H2,(H2,15,18)
InChIKeyUKGLFJAOSSGOSW-UHFFFAOYSA-N
XLogP-0.48
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxypyrrolidine-2-carboxamide (CID 19011705) is 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxypyrrolidine-2-carboxamide is NC(=O)C1CC(O)CN1C(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is UKGLFJAOSSGOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c15-13(18)10-6-9(17)7-16(10)14(19)8-1-2-11-12(5-8)21-4-3-20-11/h1-2,5,9-10,17H,3-4,6-7H2,(H2,15,18).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxypyrrolidine-2-carboxamide?
1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 292.29 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 19011705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).