1-ethyl-3-[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]-6-methylpyridin-2-one

C16H24N2O4 — CID 119061996

IUPAC1-ethyl-3-[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]-6-methylpyridin-2-one
SMILESCCn1c(C)ccc(C(=O)N2C[C@H](OC(C)C)[C@@H](O)C2)c1=O
InChIInChI=1S/C16H24N2O4/c1-5-18-11(4)6-7-12(16(18)21)15(20)17-8-13(19)14(9-17)22-10(2)3/h6-7,10,13-14,19H,5,8-9H2,1-4H3/t13-,14-/m0/s1
InChIKeyPIYAERAZGUXURW-KBPBESRZSA-N
MW308.38 g/mol
LogP0.79
Rot. Bonds4

About 1-ethyl-3-[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]-6-methylpyridin-2-one

1-ethyl-3-[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]-6-methylpyridin-2-one (PubChem CID 119061996) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-ethyl-3-[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]-6-methylpyridin-2-one
PubChem CID119061996
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name1-ethyl-3-[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]-6-methylpyridin-2-one
SMILESCCn1c(C)ccc(C(=O)N2C[C@H](OC(C)C)[C@@H](O)C2)c1=O
InChIInChI=1S/C16H24N2O4/c1-5-18-11(4)6-7-12(16(18)21)15(20)17-8-13(19)14(9-17)22-10(2)3/h6-7,10,13-14,19H,5,8-9H2,1-4H3/t13-,14-/m0/s1
InChIKeyPIYAERAZGUXURW-KBPBESRZSA-N
XLogP0.79
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]-6-methylpyridin-2-one?
The IUPAC name of 1-ethyl-3-[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]-6-methylpyridin-2-one (CID 119061996) is 1-ethyl-3-[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-ethyl-3-[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-ethyl-3-[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]-6-methylpyridin-2-one is CCn1c(C)ccc(C(=O)N2C[C@H](OC(C)C)[C@@H](O)C2)c1=O.
What is the InChIKey of 1-ethyl-3-[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]-6-methylpyridin-2-one?
The InChIKey is PIYAERAZGUXURW-KBPBESRZSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-5-18-11(4)6-7-12(16(18)21)15(20)17-8-13(19)14(9-17)22-10(2)3/h6-7,10,13-14,19H,5,8-9H2,1-4H3/t13-,14-/m0/s1.
What are the key properties of 1-ethyl-3-[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]-6-methylpyridin-2-one?
1-ethyl-3-[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]-6-methylpyridin-2-one has a molecular weight of 308.38 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]-6-methylpyridin-2-one is sourced from PubChem (CID 119061996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).