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

C10H16N2O3 — CID 107422675

IUPACN-(3-methylpyrrolidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC1(NC(=O)C2=COCCO2)CCNC1
InChIInChI=1S/C10H16N2O3/c1-10(2-3-11-7-10)12-9(13)8-6-14-4-5-15-8/h6,11H,2-5,7H2,1H3,(H,12,13)
InChIKeyJLUQCXWDEFWOTP-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.26
Rot. Bonds2

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

N-(3-methylpyrrolidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 107422675) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-(3-methylpyrrolidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(3-methylpyrrolidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID107422675
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC NameN-(3-methylpyrrolidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC1(NC(=O)C2=COCCO2)CCNC1
InChIInChI=1S/C10H16N2O3/c1-10(2-3-11-7-10)12-9(13)8-6-14-4-5-15-8/h6,11H,2-5,7H2,1H3,(H,12,13)
InChIKeyJLUQCXWDEFWOTP-UHFFFAOYSA-N
XLogP-0.26
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylpyrrolidin-3-yl)-5-nitrofuran-2-carboxamide
CID 107423013
N-(3-methylpyrrolidin-3-yl)pyridazine-4-carboxamide
CID 107423050
2,3-dichloro-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107422948
2-methyl-N-(3-methylpyrrolidin-3-yl)pyrazole-3-carboxamide
CID 107423053
5-ethyl-N-(3-methylpyrrolidin-3-yl)furan-2-carboxamide
CID 107422841
N-[1-(aminomethyl)-2-methylcyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 113283661
2-bromo-6-fluoro-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107422756
3-iodo-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107422680
N-(3-methylpyrrolidin-3-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 107422530
5-chloro-2-methyl-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107423069
3-hydroxy-N-(3-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 107423037
1,3,5-trimethyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide
CID 107422588

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpyrrolidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(3-methylpyrrolidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 107422675) is N-(3-methylpyrrolidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(3-methylpyrrolidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(3-methylpyrrolidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide is CC1(NC(=O)C2=COCCO2)CCNC1.
What is the InChIKey of N-(3-methylpyrrolidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is JLUQCXWDEFWOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-10(2-3-11-7-10)12-9(13)8-6-14-4-5-15-8/h6,11H,2-5,7H2,1H3,(H,12,13).
What are the key properties of N-(3-methylpyrrolidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(3-methylpyrrolidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 212.25 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpyrrolidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 107422675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).