N-(2-hydroxycyclohexyl)-3,4-dihydro-2H-pyran-6-carboxamide

C12H19NO3 — CID 84590652

IUPACN-(2-hydroxycyclohexyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NC1CCCCC1O)C1=CCCCO1
InChIInChI=1S/C12H19NO3/c14-10-6-2-1-5-9(10)13-12(15)11-7-3-4-8-16-11/h7,9-10,14H,1-6,8H2,(H,13,15)
InChIKeyWFBRGHDYHLEJNQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.10
Rot. Bonds2

About N-(2-hydroxycyclohexyl)-3,4-dihydro-2H-pyran-6-carboxamide

N-(2-hydroxycyclohexyl)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 84590652) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID84590652
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC NameN-(2-hydroxycyclohexyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NC1CCCCC1O)C1=CCCCO1
InChIInChI=1S/C12H19NO3/c14-10-6-2-1-5-9(10)13-12(15)11-7-3-4-8-16-11/h7,9-10,14H,1-6,8H2,(H,13,15)
InChIKeyWFBRGHDYHLEJNQ-UHFFFAOYSA-N
XLogP1.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-3,4-dihydro-2H-pyran-6-carboxamide (CID 84590652) is N-(2-hydroxycyclohexyl)-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-3,4-dihydro-2H-pyran-6-carboxamide is O=C(NC1CCCCC1O)C1=CCCCO1.
What is the InChIKey of N-(2-hydroxycyclohexyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is WFBRGHDYHLEJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c14-10-6-2-1-5-9(10)13-12(15)11-7-3-4-8-16-11/h7,9-10,14H,1-6,8H2,(H,13,15).
What are the key properties of N-(2-hydroxycyclohexyl)-3,4-dihydro-2H-pyran-6-carboxamide?
N-(2-hydroxycyclohexyl)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 84590652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).