ethane;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one

C14H28N2O — CID 156829951

IUPACethane;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one
SMILESCC.CC(C)N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C12H22N2O.C2H6/c1-10(2)13-8-5-11(6-9-13)14-7-3-4-12(14)15;1-2/h10-11H,3-9H2,1-2H3;1-2H3
InChIKeyAMYRXRFSIRDOGU-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.51
Rot. Bonds2

About ethane;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one

ethane;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one (PubChem CID 156829951) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is ethane;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Nameethane;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one
PubChem CID156829951
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Nameethane;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one
SMILESCC.CC(C)N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C12H22N2O.C2H6/c1-10(2)13-8-5-11(6-9-13)14-7-3-4-12(14)15;1-2/h10-11H,3-9H2,1-2H3;1-2H3
InChIKeyAMYRXRFSIRDOGU-UHFFFAOYSA-N
XLogP2.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one?
The IUPAC name of ethane;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one (CID 156829951) is ethane;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for ethane;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one?
The canonical SMILES for ethane;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one is CC.CC(C)N1CCC(N2CCCC2=O)CC1.
What is the InChIKey of ethane;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one?
The InChIKey is AMYRXRFSIRDOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.C2H6/c1-10(2)13-8-5-11(6-9-13)14-7-3-4-12(14)15;1-2/h10-11H,3-9H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one?
ethane;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one has a molecular weight of 240.39 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 156829951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).