N-(4-methylcyclohexyl)-4H-pyran-2-carboxamide

C13H19NO2 — CID 142231445

IUPACN-(4-methylcyclohexyl)-4H-pyran-2-carboxamide
SMILESCC1CCC(NC(=O)C2=CCC=CO2)CC1
InChIInChI=1S/C13H19NO2/c1-10-5-7-11(8-6-10)14-13(15)12-4-2-3-9-16-12/h3-4,9-11H,2,5-8H2,1H3,(H,14,15)
InChIKeySIWGMUXEUJGBTO-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.50
Rot. Bonds2

About N-(4-methylcyclohexyl)-4H-pyran-2-carboxamide

N-(4-methylcyclohexyl)-4H-pyran-2-carboxamide (PubChem CID 142231445) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-4H-pyran-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-4H-pyran-2-carboxamide
PubChem CID142231445
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(4-methylcyclohexyl)-4H-pyran-2-carboxamide
SMILESCC1CCC(NC(=O)C2=CCC=CO2)CC1
InChIInChI=1S/C13H19NO2/c1-10-5-7-11(8-6-10)14-13(15)12-4-2-3-9-16-12/h3-4,9-11H,2,5-8H2,1H3,(H,14,15)
InChIKeySIWGMUXEUJGBTO-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-4H-pyran-2-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)-4H-pyran-2-carboxamide (CID 142231445) is N-(4-methylcyclohexyl)-4H-pyran-2-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-4H-pyran-2-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)-4H-pyran-2-carboxamide is CC1CCC(NC(=O)C2=CCC=CO2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-4H-pyran-2-carboxamide?
The InChIKey is SIWGMUXEUJGBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-5-7-11(8-6-10)14-13(15)12-4-2-3-9-16-12/h3-4,9-11H,2,5-8H2,1H3,(H,14,15).
What are the key properties of N-(4-methylcyclohexyl)-4H-pyran-2-carboxamide?
N-(4-methylcyclohexyl)-4H-pyran-2-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-4H-pyran-2-carboxamide is sourced from PubChem (CID 142231445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).