1-cyclohexylpyrrolidin-2-one;1-ethylpyrrolidin-2-one

C16H28N2O2 — CID 19892451

IUPAC1-cyclohexylpyrrolidin-2-one;1-ethylpyrrolidin-2-one
SMILESCCN1CCCC1=O.O=C1CCCN1C1CCCCC1
InChIInChI=1S/C10H17NO.C6H11NO/c12-10-7-4-8-11(10)9-5-2-1-3-6-9;1-2-7-5-3-4-6(7)8/h9H,1-8H2;2-5H2,1H3
InChIKeyAVKXERRHHXMYHG-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.57
Rot. Bonds2

About 1-cyclohexylpyrrolidin-2-one;1-ethylpyrrolidin-2-one

1-cyclohexylpyrrolidin-2-one;1-ethylpyrrolidin-2-one (PubChem CID 19892451) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-cyclohexylpyrrolidin-2-one;1-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclohexylpyrrolidin-2-one;1-ethylpyrrolidin-2-one
PubChem CID19892451
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-cyclohexylpyrrolidin-2-one;1-ethylpyrrolidin-2-one
SMILESCCN1CCCC1=O.O=C1CCCN1C1CCCCC1
InChIInChI=1S/C10H17NO.C6H11NO/c12-10-7-4-8-11(10)9-5-2-1-3-6-9;1-2-7-5-3-4-6(7)8/h9H,1-8H2;2-5H2,1H3
InChIKeyAVKXERRHHXMYHG-UHFFFAOYSA-N
XLogP2.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylpyrrolidin-2-one;1-ethylpyrrolidin-2-one?
The IUPAC name of 1-cyclohexylpyrrolidin-2-one;1-ethylpyrrolidin-2-one (CID 19892451) is 1-cyclohexylpyrrolidin-2-one;1-ethylpyrrolidin-2-one.
What is the SMILES notation for 1-cyclohexylpyrrolidin-2-one;1-ethylpyrrolidin-2-one?
The canonical SMILES for 1-cyclohexylpyrrolidin-2-one;1-ethylpyrrolidin-2-one is CCN1CCCC1=O.O=C1CCCN1C1CCCCC1.
What is the InChIKey of 1-cyclohexylpyrrolidin-2-one;1-ethylpyrrolidin-2-one?
The InChIKey is AVKXERRHHXMYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.C6H11NO/c12-10-7-4-8-11(10)9-5-2-1-3-6-9;1-2-7-5-3-4-6(7)8/h9H,1-8H2;2-5H2,1H3.
What are the key properties of 1-cyclohexylpyrrolidin-2-one;1-ethylpyrrolidin-2-one?
1-cyclohexylpyrrolidin-2-one;1-ethylpyrrolidin-2-one has a molecular weight of 280.41 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylpyrrolidin-2-one;1-ethylpyrrolidin-2-one is sourced from PubChem (CID 19892451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).