(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide

C13H15NO4 — CID 757856

IUPAC(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCCO1
InChIInChI=1S/C13H15NO4/c15-13(11-2-1-5-16-11)14-9-3-4-10-12(8-9)18-7-6-17-10/h3-4,8,11H,1-2,5-7H2,(H,14,15)/t11-/m1/s1
InChIKeyWQQWKJCJBWCRCR-LLVKDONJSA-N
MW249.27 g/mol
LogP1.58
Rot. Bonds2

About (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide

(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide (PubChem CID 757856) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide
PubChem CID757856
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCCO1
InChIInChI=1S/C13H15NO4/c15-13(11-2-1-5-16-11)14-9-3-4-10-12(8-9)18-7-6-17-10/h3-4,8,11H,1-2,5-7H2,(H,14,15)/t11-/m1/s1
InChIKeyWQQWKJCJBWCRCR-LLVKDONJSA-N
XLogP1.58
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxolane-2-carboxamide
CID 9451672
N-(2,3-dihydro-1-benzofuran-5-yl)oxolane-2-carboxamide
CID 42951848
N-[4-[[(2R)-oxolane-2-carbonyl]amino]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 37396247
N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide
CID 730787
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
(2S)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yloxolane-2-carboxamide
CID 29365241
(2S)-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)oxolane-2-carboxamide
CID 40957932
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide
CID 3867871
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 47032814
(2R)-N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 52509495
N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)oxolane-2-carboxamide
CID 110413097
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide
CID 43548175

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide?
The IUPAC name of (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide (CID 757856) is (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide?
The InChIKey is WQQWKJCJBWCRCR-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15NO4/c15-13(11-2-1-5-16-11)14-9-3-4-10-12(8-9)18-7-6-17-10/h3-4,8,11H,1-2,5-7H2,(H,14,15)/t11-/m1/s1.
What are the key properties of (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide?
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide is sourced from PubChem (CID 757856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).