N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxolane-3-carboxamide

C13H23NO3 — CID 62527390

IUPACN-[1-(hydroxymethyl)-3-methylcyclohexyl]oxolane-3-carboxamide
SMILESCC1CCCC(CO)(NC(=O)C2CCOC2)C1
InChIInChI=1S/C13H23NO3/c1-10-3-2-5-13(7-10,9-15)14-12(16)11-4-6-17-8-11/h10-11,15H,2-9H2,1H3,(H,14,16)
InChIKeyRGGAOKGKHUEIIE-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.08
Rot. Bonds3

About N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxolane-3-carboxamide

N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxolane-3-carboxamide (PubChem CID 62527390) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]oxolane-3-carboxamide
PubChem CID62527390
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]oxolane-3-carboxamide
SMILESCC1CCCC(CO)(NC(=O)C2CCOC2)C1
InChIInChI=1S/C13H23NO3/c1-10-3-2-5-13(7-10,9-15)14-12(16)11-4-6-17-8-11/h10-11,15H,2-9H2,1H3,(H,14,16)
InChIKeyRGGAOKGKHUEIIE-UHFFFAOYSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxolane-3-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxolane-3-carboxamide (CID 62527390) is N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxolane-3-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxolane-3-carboxamide is CC1CCCC(CO)(NC(=O)C2CCOC2)C1.
What is the InChIKey of N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxolane-3-carboxamide?
The InChIKey is RGGAOKGKHUEIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10-3-2-5-13(7-10,9-15)14-12(16)11-4-6-17-8-11/h10-11,15H,2-9H2,1H3,(H,14,16).
What are the key properties of N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxolane-3-carboxamide?
N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxolane-3-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxolane-3-carboxamide is sourced from PubChem (CID 62527390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).