N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

C10H15NO4 — CID 94102328

IUPACN-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NC[C@H]1CCCO1)C1=COCCO1
InChIInChI=1S/C10H15NO4/c12-10(9-7-13-4-5-15-9)11-6-8-2-1-3-14-8/h7-8H,1-6H2,(H,11,12)/t8-/m1/s1
InChIKeyIRYIOBSWXAQDLY-MRVPVSSYSA-N
MW213.23 g/mol
LogP0.17
Rot. Bonds3

About N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 94102328) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID94102328
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NC[C@H]1CCCO1)C1=COCCO1
InChIInChI=1S/C10H15NO4/c12-10(9-7-13-4-5-15-9)11-6-8-2-1-3-14-8/h7-8H,1-6H2,(H,11,12)/t8-/m1/s1
InChIKeyIRYIOBSWXAQDLY-MRVPVSSYSA-N
XLogP0.17
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 3519038
3-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369165
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)acetic acid
CID 28789456
N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 13088123
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 94102328) is N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(NC[C@H]1CCCO1)C1=COCCO1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is IRYIOBSWXAQDLY-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15NO4/c12-10(9-7-13-4-5-15-9)11-6-8-2-1-3-14-8/h7-8H,1-6H2,(H,11,12)/t8-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 213.23 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 94102328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).