4-[2-(2-hydroxypropyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one

C14H20N2O3 — CID 103840283

IUPAC4-[2-(2-hydroxypropyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCC(O)CC1CCCN1C(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C14H20N2O3/c1-10(17)8-12-4-3-6-16(12)14(19)11-5-7-15(2)13(18)9-11/h5,7,9-10,12,17H,3-4,6,8H2,1-2H3
InChIKeyAKCQUJXZKLCVFG-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.76
Rot. Bonds3

About 4-[2-(2-hydroxypropyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one

4-[2-(2-hydroxypropyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 103840283) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-[2-(2-hydroxypropyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[2-(2-hydroxypropyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID103840283
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-[2-(2-hydroxypropyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCC(O)CC1CCCN1C(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C14H20N2O3/c1-10(17)8-12-4-3-6-16(12)14(19)11-5-7-15(2)13(18)9-11/h5,7,9-10,12,17H,3-4,6,8H2,1-2H3
InChIKeyAKCQUJXZKLCVFG-UHFFFAOYSA-N
XLogP0.76
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxypropyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[2-(2-hydroxypropyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one (CID 103840283) is 4-[2-(2-hydroxypropyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[2-(2-hydroxypropyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[2-(2-hydroxypropyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one is CC(O)CC1CCCN1C(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of 4-[2-(2-hydroxypropyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is AKCQUJXZKLCVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(17)8-12-4-3-6-16(12)14(19)11-5-7-15(2)13(18)9-11/h5,7,9-10,12,17H,3-4,6,8H2,1-2H3.
What are the key properties of 4-[2-(2-hydroxypropyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
4-[2-(2-hydroxypropyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 264.32 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxypropyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 103840283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).