1-[4-methyl-5-(2-oxopyrrolidin-1-yl)pentyl]pyrrolidin-2-one

C14H24N2O2 — CID 54004500

IUPAC1-[4-methyl-5-(2-oxopyrrolidin-1-yl)pentyl]pyrrolidin-2-one
SMILESCC(CCCN1CCCC1=O)CN1CCCC1=O
InChIInChI=1S/C14H24N2O2/c1-12(11-16-10-4-7-14(16)18)5-2-8-15-9-3-6-13(15)17/h12H,2-11H2,1H3
InChIKeyKNWSIUXDBFKFRE-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.65
Rot. Bonds6

About 1-[4-methyl-5-(2-oxopyrrolidin-1-yl)pentyl]pyrrolidin-2-one

1-[4-methyl-5-(2-oxopyrrolidin-1-yl)pentyl]pyrrolidin-2-one (PubChem CID 54004500) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[4-methyl-5-(2-oxopyrrolidin-1-yl)pentyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-methyl-5-(2-oxopyrrolidin-1-yl)pentyl]pyrrolidin-2-one
PubChem CID54004500
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-[4-methyl-5-(2-oxopyrrolidin-1-yl)pentyl]pyrrolidin-2-one
SMILESCC(CCCN1CCCC1=O)CN1CCCC1=O
InChIInChI=1S/C14H24N2O2/c1-12(11-16-10-4-7-14(16)18)5-2-8-15-9-3-6-13(15)17/h12H,2-11H2,1H3
InChIKeyKNWSIUXDBFKFRE-UHFFFAOYSA-N
XLogP1.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-5-(2-oxopyrrolidin-1-yl)pentyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-methyl-5-(2-oxopyrrolidin-1-yl)pentyl]pyrrolidin-2-one (CID 54004500) is 1-[4-methyl-5-(2-oxopyrrolidin-1-yl)pentyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-methyl-5-(2-oxopyrrolidin-1-yl)pentyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-methyl-5-(2-oxopyrrolidin-1-yl)pentyl]pyrrolidin-2-one is CC(CCCN1CCCC1=O)CN1CCCC1=O.
What is the InChIKey of 1-[4-methyl-5-(2-oxopyrrolidin-1-yl)pentyl]pyrrolidin-2-one?
The InChIKey is KNWSIUXDBFKFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-12(11-16-10-4-7-14(16)18)5-2-8-15-9-3-6-13(15)17/h12H,2-11H2,1H3.
What are the key properties of 1-[4-methyl-5-(2-oxopyrrolidin-1-yl)pentyl]pyrrolidin-2-one?
1-[4-methyl-5-(2-oxopyrrolidin-1-yl)pentyl]pyrrolidin-2-one has a molecular weight of 252.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-5-(2-oxopyrrolidin-1-yl)pentyl]pyrrolidin-2-one is sourced from PubChem (CID 54004500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).