1-[3-[di(propan-2-yl)amino]-2-hydroxypropyl]pyrrolidin-2-one

C13H26N2O2 — CID 22958923

IUPAC1-[3-[di(propan-2-yl)amino]-2-hydroxypropyl]pyrrolidin-2-one
SMILESCC(C)N(CC(O)CN1CCCC1=O)C(C)C
InChIInChI=1S/C13H26N2O2/c1-10(2)15(11(3)4)9-12(16)8-14-7-5-6-13(14)17/h10-12,16H,5-9H2,1-4H3
InChIKeyDGDMIUXWUXCUNN-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.09
Rot. Bonds6

About 1-[3-[di(propan-2-yl)amino]-2-hydroxypropyl]pyrrolidin-2-one

1-[3-[di(propan-2-yl)amino]-2-hydroxypropyl]pyrrolidin-2-one (PubChem CID 22958923) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-[3-[di(propan-2-yl)amino]-2-hydroxypropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[di(propan-2-yl)amino]-2-hydroxypropyl]pyrrolidin-2-one
PubChem CID22958923
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-[3-[di(propan-2-yl)amino]-2-hydroxypropyl]pyrrolidin-2-one
SMILESCC(C)N(CC(O)CN1CCCC1=O)C(C)C
InChIInChI=1S/C13H26N2O2/c1-10(2)15(11(3)4)9-12(16)8-14-7-5-6-13(14)17/h10-12,16H,5-9H2,1-4H3
InChIKeyDGDMIUXWUXCUNN-UHFFFAOYSA-N
XLogP1.09
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[di(propan-2-yl)amino]-2-hydroxypropyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[di(propan-2-yl)amino]-2-hydroxypropyl]pyrrolidin-2-one (CID 22958923) is 1-[3-[di(propan-2-yl)amino]-2-hydroxypropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[di(propan-2-yl)amino]-2-hydroxypropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[di(propan-2-yl)amino]-2-hydroxypropyl]pyrrolidin-2-one is CC(C)N(CC(O)CN1CCCC1=O)C(C)C.
What is the InChIKey of 1-[3-[di(propan-2-yl)amino]-2-hydroxypropyl]pyrrolidin-2-one?
The InChIKey is DGDMIUXWUXCUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)15(11(3)4)9-12(16)8-14-7-5-6-13(14)17/h10-12,16H,5-9H2,1-4H3.
What are the key properties of 1-[3-[di(propan-2-yl)amino]-2-hydroxypropyl]pyrrolidin-2-one?
1-[3-[di(propan-2-yl)amino]-2-hydroxypropyl]pyrrolidin-2-one has a molecular weight of 242.36 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[di(propan-2-yl)amino]-2-hydroxypropyl]pyrrolidin-2-one is sourced from PubChem (CID 22958923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).