N,6-dimethyl-2,3-dihydro-1,4-dioxine-5-carboxamide

C7H11NO3 — CID 66663244

IUPACN,6-dimethyl-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCNC(=O)C1=C(C)OCCO1
InChIInChI=1S/C7H11NO3/c1-5-6(7(9)8-2)11-4-3-10-5/h3-4H2,1-2H3,(H,8,9)
InChIKeyCHFWMFIHLHKMET-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.01
Rot. Bonds1

About N,6-dimethyl-2,3-dihydro-1,4-dioxine-5-carboxamide

N,6-dimethyl-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 66663244) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is N,6-dimethyl-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID66663244
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC NameN,6-dimethyl-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCNC(=O)C1=C(C)OCCO1
InChIInChI=1S/C7H11NO3/c1-5-6(7(9)8-2)11-4-3-10-5/h3-4H2,1-2H3,(H,8,9)
InChIKeyCHFWMFIHLHKMET-UHFFFAOYSA-N
XLogP0.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N,6-dimethyl-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 66663244) is N,6-dimethyl-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N,6-dimethyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N,6-dimethyl-2,3-dihydro-1,4-dioxine-5-carboxamide is CNC(=O)C1=C(C)OCCO1.
What is the InChIKey of N,6-dimethyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is CHFWMFIHLHKMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-5-6(7(9)8-2)11-4-3-10-5/h3-4H2,1-2H3,(H,8,9).
What are the key properties of N,6-dimethyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
N,6-dimethyl-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 157.17 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 66663244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).