5-hydroxy-4-methyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-2-one

C10H20N2O2 — CID 163456005

IUPAC5-hydroxy-4-methyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-2-one
SMILESCC(C)NCCN1C(=O)CC(C)C1O
InChIInChI=1S/C10H20N2O2/c1-7(2)11-4-5-12-9(13)6-8(3)10(12)14/h7-8,10-11,14H,4-6H2,1-3H3
InChIKeyBKNMAUFIUMGVCC-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.17
Rot. Bonds4

About 5-hydroxy-4-methyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-2-one

5-hydroxy-4-methyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-2-one (PubChem CID 163456005) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-hydroxy-4-methyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-4-methyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-2-one
PubChem CID163456005
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name5-hydroxy-4-methyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-2-one
SMILESCC(C)NCCN1C(=O)CC(C)C1O
InChIInChI=1S/C10H20N2O2/c1-7(2)11-4-5-12-9(13)6-8(3)10(12)14/h7-8,10-11,14H,4-6H2,1-3H3
InChIKeyBKNMAUFIUMGVCC-UHFFFAOYSA-N
XLogP0.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-methyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-2-one?
The IUPAC name of 5-hydroxy-4-methyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-2-one (CID 163456005) is 5-hydroxy-4-methyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 5-hydroxy-4-methyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-2-one?
The canonical SMILES for 5-hydroxy-4-methyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-2-one is CC(C)NCCN1C(=O)CC(C)C1O.
What is the InChIKey of 5-hydroxy-4-methyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-2-one?
The InChIKey is BKNMAUFIUMGVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7(2)11-4-5-12-9(13)6-8(3)10(12)14/h7-8,10-11,14H,4-6H2,1-3H3.
What are the key properties of 5-hydroxy-4-methyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-2-one?
5-hydroxy-4-methyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-2-one has a molecular weight of 200.28 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-methyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 163456005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).