1-[2-(2-hydroxyethyl)pentyl]-3-(methylamino)pyrrolidin-2-one

C12H24N2O2 — CID 106118449

IUPAC1-[2-(2-hydroxyethyl)pentyl]-3-(methylamino)pyrrolidin-2-one
SMILESCCCC(CCO)CN1CCC(NC)C1=O
InChIInChI=1S/C12H24N2O2/c1-3-4-10(6-8-15)9-14-7-5-11(13-2)12(14)16/h10-11,13,15H,3-9H2,1-2H3
InChIKeyYKWSXDUGEJUBIS-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.61
Rot. Bonds7

About 1-[2-(2-hydroxyethyl)pentyl]-3-(methylamino)pyrrolidin-2-one

1-[2-(2-hydroxyethyl)pentyl]-3-(methylamino)pyrrolidin-2-one (PubChem CID 106118449) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)pentyl]-3-(methylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-hydroxyethyl)pentyl]-3-(methylamino)pyrrolidin-2-one
PubChem CID106118449
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-[2-(2-hydroxyethyl)pentyl]-3-(methylamino)pyrrolidin-2-one
SMILESCCCC(CCO)CN1CCC(NC)C1=O
InChIInChI=1S/C12H24N2O2/c1-3-4-10(6-8-15)9-14-7-5-11(13-2)12(14)16/h10-11,13,15H,3-9H2,1-2H3
InChIKeyYKWSXDUGEJUBIS-UHFFFAOYSA-N
XLogP0.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethyl)pentyl]-3-(methylamino)pyrrolidin-2-one?
The IUPAC name of 1-[2-(2-hydroxyethyl)pentyl]-3-(methylamino)pyrrolidin-2-one (CID 106118449) is 1-[2-(2-hydroxyethyl)pentyl]-3-(methylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2-hydroxyethyl)pentyl]-3-(methylamino)pyrrolidin-2-one?
The canonical SMILES for 1-[2-(2-hydroxyethyl)pentyl]-3-(methylamino)pyrrolidin-2-one is CCCC(CCO)CN1CCC(NC)C1=O.
What is the InChIKey of 1-[2-(2-hydroxyethyl)pentyl]-3-(methylamino)pyrrolidin-2-one?
The InChIKey is YKWSXDUGEJUBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-4-10(6-8-15)9-14-7-5-11(13-2)12(14)16/h10-11,13,15H,3-9H2,1-2H3.
What are the key properties of 1-[2-(2-hydroxyethyl)pentyl]-3-(methylamino)pyrrolidin-2-one?
1-[2-(2-hydroxyethyl)pentyl]-3-(methylamino)pyrrolidin-2-one has a molecular weight of 228.34 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethyl)pentyl]-3-(methylamino)pyrrolidin-2-one is sourced from PubChem (CID 106118449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).