N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-pyran-6-carboxamide

C13H21NO3 — CID 84592163

IUPACN-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NC1CCCCC1CO)C1=CCCCO1
InChIInChI=1S/C13H21NO3/c15-9-10-5-1-2-6-11(10)14-13(16)12-7-3-4-8-17-12/h7,10-11,15H,1-6,8-9H2,(H,14,16)
InChIKeyWSFRZZUVUBEEBT-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.35
Rot. Bonds3

About N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-pyran-6-carboxamide

N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 84592163) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID84592163
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NC1CCCCC1CO)C1=CCCCO1
InChIInChI=1S/C13H21NO3/c15-9-10-5-1-2-6-11(10)14-13(16)12-7-3-4-8-17-12/h7,10-11,15H,1-6,8-9H2,(H,14,16)
InChIKeyWSFRZZUVUBEEBT-UHFFFAOYSA-N
XLogP1.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-pyran-6-carboxamide (CID 84592163) is N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-pyran-6-carboxamide is O=C(NC1CCCCC1CO)C1=CCCCO1.
What is the InChIKey of N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is WSFRZZUVUBEEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c15-9-10-5-1-2-6-11(10)14-13(16)12-7-3-4-8-17-12/h7,10-11,15H,1-6,8-9H2,(H,14,16).
What are the key properties of N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-pyran-6-carboxamide?
N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 239.31 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 84592163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).