N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide

C13H21NO3 — CID 111539873

IUPACN-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NCC1(O)CCCCC1)C1=CCCCO1
InChIInChI=1S/C13H21NO3/c15-12(11-6-2-5-9-17-11)14-10-13(16)7-3-1-4-8-13/h6,16H,1-5,7-10H2,(H,14,15)
InChIKeyCYNSSLXDEXERST-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.49
Rot. Bonds3

About N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide

N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 111539873) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID111539873
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NCC1(O)CCCCC1)C1=CCCCO1
InChIInChI=1S/C13H21NO3/c15-12(11-6-2-5-9-17-11)14-10-13(16)7-3-1-4-8-13/h6,16H,1-5,7-10H2,(H,14,15)
InChIKeyCYNSSLXDEXERST-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 65113714
N-(2-hydroxycyclohexyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 84590652
N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 84592163
N-[4-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 109618811
N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 109957146
N-[(1-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 111538663
N-(2-hydroxy-2-propylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 111539315
N-[(1-hydroxycyclobutyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 111539526
N-(2-ethyl-2-hydroxybutyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 111540468
N-[(2-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 111540635
N-(2-hydroxy-2,5-dimethylhexyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 111540861
N-(2-cyclopentyl-2-hydroxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 112297318

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide (CID 111539873) is N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide is O=C(NCC1(O)CCCCC1)C1=CCCCO1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is CYNSSLXDEXERST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c15-12(11-6-2-5-9-17-11)14-10-13(16)7-3-1-4-8-13/h6,16H,1-5,7-10H2,(H,14,15).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide?
N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 239.31 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 111539873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).