N-cyclohexyl-2-oxooxolane-3-carboxamide

C11H17NO3 — CID 121221667

IUPACN-cyclohexyl-2-oxooxolane-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CCOC1=O
InChIInChI=1S/C11H17NO3/c13-10(9-6-7-15-11(9)14)12-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,12,13)
InChIKeyNTSKCQWHHYDLOK-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.00
Rot. Bonds2

About N-cyclohexyl-2-oxooxolane-3-carboxamide

N-cyclohexyl-2-oxooxolane-3-carboxamide (PubChem CID 121221667) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-cyclohexyl-2-oxooxolane-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-oxooxolane-3-carboxamide
PubChem CID121221667
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC NameN-cyclohexyl-2-oxooxolane-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CCOC1=O
InChIInChI=1S/C11H17NO3/c13-10(9-6-7-15-11(9)14)12-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,12,13)
InChIKeyNTSKCQWHHYDLOK-UHFFFAOYSA-N
XLogP1.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-oxooxolane-3-carboxamide?
The IUPAC name of N-cyclohexyl-2-oxooxolane-3-carboxamide (CID 121221667) is N-cyclohexyl-2-oxooxolane-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-oxooxolane-3-carboxamide?
The canonical SMILES for N-cyclohexyl-2-oxooxolane-3-carboxamide is O=C(NC1CCCCC1)C1CCOC1=O.
What is the InChIKey of N-cyclohexyl-2-oxooxolane-3-carboxamide?
The InChIKey is NTSKCQWHHYDLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c13-10(9-6-7-15-11(9)14)12-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,12,13).
What are the key properties of N-cyclohexyl-2-oxooxolane-3-carboxamide?
N-cyclohexyl-2-oxooxolane-3-carboxamide has a molecular weight of 211.26 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-oxooxolane-3-carboxamide is sourced from PubChem (CID 121221667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).