4-propan-2-yloxy-1-pyrrolidin-1-ylbutan-1-one

C11H21NO2 — CID 58140120

IUPAC4-propan-2-yloxy-1-pyrrolidin-1-ylbutan-1-one
SMILESCC(C)OCCCC(=O)N1CCCC1
InChIInChI=1S/C11H21NO2/c1-10(2)14-9-5-6-11(13)12-7-3-4-8-12/h10H,3-9H2,1-2H3
InChIKeyYYLOWNRSQJJJGI-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.81
Rot. Bonds5

About 4-propan-2-yloxy-1-pyrrolidin-1-ylbutan-1-one

4-propan-2-yloxy-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 58140120) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-propan-2-yloxy-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-propan-2-yloxy-1-pyrrolidin-1-ylbutan-1-one
PubChem CID58140120
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-propan-2-yloxy-1-pyrrolidin-1-ylbutan-1-one
SMILESCC(C)OCCCC(=O)N1CCCC1
InChIInChI=1S/C11H21NO2/c1-10(2)14-9-5-6-11(13)12-7-3-4-8-12/h10H,3-9H2,1-2H3
InChIKeyYYLOWNRSQJJJGI-UHFFFAOYSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-propan-2-yloxy-1-pyrrolidin-1-ylbutan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

5-Methoxy-1-methylpyrrolidin-2-one
CID 11423602
1-(1-Butoxyethyl)-2-pyrrolidinone
CID 13827422
1-(1-Isopropoxyethyl)-2-pyrrolidinone
CID 14452921
N-(butoxymethyl)pyrrolidone
CID 15279822
1-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-4-propan-2-yloxybutan-1-one
CID 97822497
5-Ethoxy-1-methyl-2-pyrrolidinone
CID 12220374
5-Ethoxy-1-(methoxymethyl)pyrrolidin-2-one
CID 92019314
1-(2-Propan-2-yloxypyrrolidin-1-yl)ethanone
CID 134918502
1-(2-Ethoxypyrrolidin-1-yl)butan-1-one
CID 134988220
(4-Oxo-4-pyrrolidin-1-ylbutyl) acetate
CID 12169294
4-Methoxy-1-pyrrolidin-1-ylbutan-1-one
CID 11789663
5-Ethoxy-1-ethylpyrrolidin-2-one
CID 12086321

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 4-propan-2-yloxy-1-pyrrolidin-1-ylbutan-1-one (CID 58140120) is 4-propan-2-yloxy-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 4-propan-2-yloxy-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 4-propan-2-yloxy-1-pyrrolidin-1-ylbutan-1-one is CC(C)OCCCC(=O)N1CCCC1.
What is the InChIKey of 4-propan-2-yloxy-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is YYLOWNRSQJJJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(2)14-9-5-6-11(13)12-7-3-4-8-12/h10H,3-9H2,1-2H3.
What are the key properties of 4-propan-2-yloxy-1-pyrrolidin-1-ylbutan-1-one?
4-propan-2-yloxy-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 58140120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).