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

C7H11NO4 — CID 43389060

IUPACN-(2-hydroxyethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NCCO)C1=COCCO1
InChIInChI=1S/C7H11NO4/c9-2-1-8-7(10)6-5-11-3-4-12-6/h5,9H,1-4H2,(H,8,10)
InChIKeyNGEYZGWCTWWBCV-UHFFFAOYSA-N
MW173.17 g/mol
LogP-1.02
Rot. Bonds3

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

N-(2-hydroxyethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 43389060) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID43389060
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC NameN-(2-hydroxyethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NCCO)C1=COCCO1
InChIInChI=1S/C7H11NO4/c9-2-1-8-7(10)6-5-11-3-4-12-6/h5,9H,1-4H2,(H,8,10)
InChIKeyNGEYZGWCTWWBCV-UHFFFAOYSA-N
XLogP-1.02
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 43389060) is N-(2-hydroxyethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(NCCO)C1=COCCO1.
What is the InChIKey of N-(2-hydroxyethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is NGEYZGWCTWWBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c9-2-1-8-7(10)6-5-11-3-4-12-6/h5,9H,1-4H2,(H,8,10).
What are the key properties of N-(2-hydroxyethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(2-hydroxyethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 173.17 g/mol, XLogP of -1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 43389060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).