N-(azetidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C8H12N2O3 — CID 66185138

IUPACN-(azetidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NC1CNC1)C1=COCCO1
InChIInChI=1S/C8H12N2O3/c11-8(10-6-3-9-4-6)7-5-12-1-2-13-7/h5-6,9H,1-4H2,(H,10,11)
InChIKeyNSMIVYPUXYAQEG-UHFFFAOYSA-N
MW184.19 g/mol
LogP-1.04
Rot. Bonds2

About N-(azetidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(azetidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 66185138) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID66185138
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC NameN-(azetidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NC1CNC1)C1=COCCO1
InChIInChI=1S/C8H12N2O3/c11-8(10-6-3-9-4-6)7-5-12-1-2-13-7/h5-6,9H,1-4H2,(H,10,11)
InChIKeyNSMIVYPUXYAQEG-UHFFFAOYSA-N
XLogP-1.04
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-oxopiperidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 62896429
N-[(1S,3S)-3-(4-fluorophenyl)cyclopentyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 125140053
N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 13088123
2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)acetic acid
CID 28789456
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 103862957
N-pent-4-ynyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 103708956
N-(2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 43392740
N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 94102328
N-(3-methylpyrrolidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 107422675
N-(4-hydroxy-2-methylbutan-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 115968733
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 8899013
N-methyl-N-piperidin-3-yl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 63644411

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(azetidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 66185138) is N-(azetidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(azetidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(azetidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(NC1CNC1)C1=COCCO1.
What is the InChIKey of N-(azetidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is NSMIVYPUXYAQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c11-8(10-6-3-9-4-6)7-5-12-1-2-13-7/h5-6,9H,1-4H2,(H,10,11).
What are the key properties of N-(azetidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(azetidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 184.19 g/mol, XLogP of -1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 66185138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).