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

C10H19NO2 — CID 79545888

IUPAC1-[1-(2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1CC(C)O
InChIInChI=1S/C10H19NO2/c1-8(12)6-10-4-3-5-11(10)7-9(2)13/h9-10,13H,3-7H2,1-2H3
InChIKeyAVMKRFNPMFAPRM-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.81
Rot. Bonds4

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

1-[1-(2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one (PubChem CID 79545888) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-[1-(2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one
PubChem CID79545888
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-[1-(2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1CC(C)O
InChIInChI=1S/C10H19NO2/c1-8(12)6-10-4-3-5-11(10)7-9(2)13/h9-10,13H,3-7H2,1-2H3
InChIKeyAVMKRFNPMFAPRM-UHFFFAOYSA-N
XLogP0.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one (CID 79545888) is 1-[1-(2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one is CC(=O)CC1CCCN1CC(C)O.
What is the InChIKey of 1-[1-(2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one?
The InChIKey is AVMKRFNPMFAPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(12)6-10-4-3-5-11(10)7-9(2)13/h9-10,13H,3-7H2,1-2H3.
What are the key properties of 1-[1-(2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one?
1-[1-(2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one has a molecular weight of 185.27 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one is sourced from PubChem (CID 79545888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).