1-[2-hydroxy-3-(propan-2-ylamino)propyl]pyrrolidin-2-one

C10H20N2O2 — CID 3075725

IUPAC1-[2-hydroxy-3-(propan-2-ylamino)propyl]pyrrolidin-2-one
SMILESCC(C)NCC(O)CN1CCCC1=O
InChIInChI=1S/C10H20N2O2/c1-8(2)11-6-9(13)7-12-5-3-4-10(12)14/h8-9,11,13H,3-7H2,1-2H3
InChIKeyWDLWPBDFUMFTCT-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.03
Rot. Bonds5

About 1-[2-hydroxy-3-(propan-2-ylamino)propyl]pyrrolidin-2-one

1-[2-hydroxy-3-(propan-2-ylamino)propyl]pyrrolidin-2-one (PubChem CID 3075725) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(propan-2-ylamino)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-3-(propan-2-ylamino)propyl]pyrrolidin-2-one
PubChem CID3075725
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-[2-hydroxy-3-(propan-2-ylamino)propyl]pyrrolidin-2-one
SMILESCC(C)NCC(O)CN1CCCC1=O
InChIInChI=1S/C10H20N2O2/c1-8(2)11-6-9(13)7-12-5-3-4-10(12)14/h8-9,11,13H,3-7H2,1-2H3
InChIKeyWDLWPBDFUMFTCT-UHFFFAOYSA-N
XLogP-0.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(propan-2-ylamino)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-hydroxy-3-(propan-2-ylamino)propyl]pyrrolidin-2-one (CID 3075725) is 1-[2-hydroxy-3-(propan-2-ylamino)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-hydroxy-3-(propan-2-ylamino)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-hydroxy-3-(propan-2-ylamino)propyl]pyrrolidin-2-one is CC(C)NCC(O)CN1CCCC1=O.
What is the InChIKey of 1-[2-hydroxy-3-(propan-2-ylamino)propyl]pyrrolidin-2-one?
The InChIKey is WDLWPBDFUMFTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(2)11-6-9(13)7-12-5-3-4-10(12)14/h8-9,11,13H,3-7H2,1-2H3.
What are the key properties of 1-[2-hydroxy-3-(propan-2-ylamino)propyl]pyrrolidin-2-one?
1-[2-hydroxy-3-(propan-2-ylamino)propyl]pyrrolidin-2-one has a molecular weight of 200.28 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(propan-2-ylamino)propyl]pyrrolidin-2-one is sourced from PubChem (CID 3075725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).