2-methyl-N-(4-oxocyclohexyl)oxolane-3-carboxamide

C12H19NO3 — CID 79759873

IUPAC2-methyl-N-(4-oxocyclohexyl)oxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NC1CCC(=O)CC1
InChIInChI=1S/C12H19NO3/c1-8-11(6-7-16-8)12(15)13-9-2-4-10(14)5-3-9/h8-9,11H,2-7H2,1H3,(H,13,15)
InChIKeyRAEQJOUQQMCNNP-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.04
Rot. Bonds2

About 2-methyl-N-(4-oxocyclohexyl)oxolane-3-carboxamide

2-methyl-N-(4-oxocyclohexyl)oxolane-3-carboxamide (PubChem CID 79759873) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-methyl-N-(4-oxocyclohexyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-oxocyclohexyl)oxolane-3-carboxamide
PubChem CID79759873
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-methyl-N-(4-oxocyclohexyl)oxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NC1CCC(=O)CC1
InChIInChI=1S/C12H19NO3/c1-8-11(6-7-16-8)12(15)13-9-2-4-10(14)5-3-9/h8-9,11H,2-7H2,1H3,(H,13,15)
InChIKeyRAEQJOUQQMCNNP-UHFFFAOYSA-N
XLogP1.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-oxocyclohexyl)oxolane-3-carboxamide?
The IUPAC name of 2-methyl-N-(4-oxocyclohexyl)oxolane-3-carboxamide (CID 79759873) is 2-methyl-N-(4-oxocyclohexyl)oxolane-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-oxocyclohexyl)oxolane-3-carboxamide?
The canonical SMILES for 2-methyl-N-(4-oxocyclohexyl)oxolane-3-carboxamide is CC1OCCC1C(=O)NC1CCC(=O)CC1.
What is the InChIKey of 2-methyl-N-(4-oxocyclohexyl)oxolane-3-carboxamide?
The InChIKey is RAEQJOUQQMCNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-8-11(6-7-16-8)12(15)13-9-2-4-10(14)5-3-9/h8-9,11H,2-7H2,1H3,(H,13,15).
What are the key properties of 2-methyl-N-(4-oxocyclohexyl)oxolane-3-carboxamide?
2-methyl-N-(4-oxocyclohexyl)oxolane-3-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-oxocyclohexyl)oxolane-3-carboxamide is sourced from PubChem (CID 79759873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).