N-[1-(hydroxymethyl)cyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

C12H19NO4 — CID 62520557

IUPACN-[1-(hydroxymethyl)cyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NC1(CO)CCCCC1)C1=COCCO1
InChIInChI=1S/C12H19NO4/c14-9-12(4-2-1-3-5-12)13-11(15)10-8-16-6-7-17-10/h8,14H,1-7,9H2,(H,13,15)
InChIKeyPYWLFJSVXKZXIX-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.69
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

N-[1-(hydroxymethyl)cyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 62520557) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID62520557
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NC1(CO)CCCCC1)C1=COCCO1
InChIInChI=1S/C12H19NO4/c14-9-12(4-2-1-3-5-12)13-11(15)10-8-16-6-7-17-10/h8,14H,1-7,9H2,(H,13,15)
InChIKeyPYWLFJSVXKZXIX-UHFFFAOYSA-N
XLogP0.69
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 62520557) is N-[1-(hydroxymethyl)cyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(NC1(CO)CCCCC1)C1=COCCO1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is PYWLFJSVXKZXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c14-9-12(4-2-1-3-5-12)13-11(15)10-8-16-6-7-17-10/h8,14H,1-7,9H2,(H,13,15).
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[1-(hydroxymethyl)cyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 62520557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).