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

C11H17NO4 — CID 62360697

IUPACN-(2-hydroxycyclohexyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NC1CCCCC1O)C1=COCCO1
InChIInChI=1S/C11H17NO4/c13-9-4-2-1-3-8(9)12-11(14)10-7-15-5-6-16-10/h7-9,13H,1-6H2,(H,12,14)
InChIKeyQIZWXNRJJHEPAN-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.29
Rot. Bonds2

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

N-(2-hydroxycyclohexyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 62360697) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID62360697
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC NameN-(2-hydroxycyclohexyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NC1CCCCC1O)C1=COCCO1
InChIInChI=1S/C11H17NO4/c13-9-4-2-1-3-8(9)12-11(14)10-7-15-5-6-16-10/h7-9,13H,1-6H2,(H,12,14)
InChIKeyQIZWXNRJJHEPAN-UHFFFAOYSA-N
XLogP0.29
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 62360697) is N-(2-hydroxycyclohexyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(NC1CCCCC1O)C1=COCCO1.
What is the InChIKey of N-(2-hydroxycyclohexyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is QIZWXNRJJHEPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c13-9-4-2-1-3-8(9)12-11(14)10-7-15-5-6-16-10/h7-9,13H,1-6H2,(H,12,14).
What are the key properties of N-(2-hydroxycyclohexyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(2-hydroxycyclohexyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 227.26 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 62360697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).