1-cyclohexylpyrrolidin-2-one;1,3-oxazolidin-2-one

C13H22N2O3 — CID 174656528

IUPAC1-cyclohexylpyrrolidin-2-one;1,3-oxazolidin-2-one
SMILESO=C1CCCN1C1CCCCC1.O=C1NCCO1
InChIInChI=1S/C10H17NO.C3H5NO2/c12-10-7-4-8-11(10)9-5-2-1-3-6-9;5-3-4-1-2-6-3/h9H,1-8H2;1-2H2,(H,4,5)
InChIKeyCZXYSCVVHJCBIO-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.67
Rot. Bonds1

About 1-cyclohexylpyrrolidin-2-one;1,3-oxazolidin-2-one

1-cyclohexylpyrrolidin-2-one;1,3-oxazolidin-2-one (PubChem CID 174656528) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-cyclohexylpyrrolidin-2-one;1,3-oxazolidin-2-one.

Molecular Properties

Compound Name1-cyclohexylpyrrolidin-2-one;1,3-oxazolidin-2-one
PubChem CID174656528
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-cyclohexylpyrrolidin-2-one;1,3-oxazolidin-2-one
SMILESO=C1CCCN1C1CCCCC1.O=C1NCCO1
InChIInChI=1S/C10H17NO.C3H5NO2/c12-10-7-4-8-11(10)9-5-2-1-3-6-9;5-3-4-1-2-6-3/h9H,1-8H2;1-2H2,(H,4,5)
InChIKeyCZXYSCVVHJCBIO-UHFFFAOYSA-N
XLogP1.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylpyrrolidin-2-one;1,3-oxazolidin-2-one?
The IUPAC name of 1-cyclohexylpyrrolidin-2-one;1,3-oxazolidin-2-one (CID 174656528) is 1-cyclohexylpyrrolidin-2-one;1,3-oxazolidin-2-one.
What is the SMILES notation for 1-cyclohexylpyrrolidin-2-one;1,3-oxazolidin-2-one?
The canonical SMILES for 1-cyclohexylpyrrolidin-2-one;1,3-oxazolidin-2-one is O=C1CCCN1C1CCCCC1.O=C1NCCO1.
What is the InChIKey of 1-cyclohexylpyrrolidin-2-one;1,3-oxazolidin-2-one?
The InChIKey is CZXYSCVVHJCBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.C3H5NO2/c12-10-7-4-8-11(10)9-5-2-1-3-6-9;5-3-4-1-2-6-3/h9H,1-8H2;1-2H2,(H,4,5).
What are the key properties of 1-cyclohexylpyrrolidin-2-one;1,3-oxazolidin-2-one?
1-cyclohexylpyrrolidin-2-one;1,3-oxazolidin-2-one has a molecular weight of 254.33 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylpyrrolidin-2-one;1,3-oxazolidin-2-one is sourced from PubChem (CID 174656528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).