1-(3,3-diethoxypropyl)pyrrolidin-2-one

C11H21NO3 — CID 63628099

IUPAC1-(3,3-diethoxypropyl)pyrrolidin-2-one
SMILESCCOC(CCN1CCCC1=O)OCC
InChIInChI=1S/C11H21NO3/c1-3-14-11(15-4-2)7-9-12-8-5-6-10(12)13/h11H,3-9H2,1-2H3
InChIKeyCAQCIGYCXAEVDJ-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.40
Rot. Bonds7

About 1-(3,3-diethoxypropyl)pyrrolidin-2-one

1-(3,3-diethoxypropyl)pyrrolidin-2-one (PubChem CID 63628099) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-(3,3-diethoxypropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,3-diethoxypropyl)pyrrolidin-2-one
PubChem CID63628099
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name1-(3,3-diethoxypropyl)pyrrolidin-2-one
SMILESCCOC(CCN1CCCC1=O)OCC
InChIInChI=1S/C11H21NO3/c1-3-14-11(15-4-2)7-9-12-8-5-6-10(12)13/h11H,3-9H2,1-2H3
InChIKeyCAQCIGYCXAEVDJ-UHFFFAOYSA-N
XLogP1.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxy-2-methoxyethyl)pyrrolidin-2-one
CID 155174816
1-(3,3-diethoxypropyl)-1,3-diazinan-2-one
CID 69224786
1-(2-propan-2-yloxyethyl)pyrrolidin-2-one
CID 58735421
1-(3,3-diethoxypropyl)-4-propylpiperazine-2,5-dione
CID 79942577
1-(2-oxopyrrolidin-1-yl)pentan-3-yl acetate
CID 159544369
1-(4-sulfanylhexyl)pyrrolidin-2-one
CID 141416613
1-[2-[diethoxy(methyl)silyl]ethyl]pyrrolidin-2-one
CID 165347947
1-[(3S)-3-(2-oxoazepan-1-yl)butyl]azepan-2-one
CID 139182076
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
1-[3,5,7,9-tetrakis(2-oxopyrrolidin-1-yl)decyl]pyrrolidin-2-one
CID 170898795
1-(3-hydroxy-3-methoxypropyl)azepan-2-one
CID 146591726

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diethoxypropyl)pyrrolidin-2-one?
The IUPAC name of 1-(3,3-diethoxypropyl)pyrrolidin-2-one (CID 63628099) is 1-(3,3-diethoxypropyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3,3-diethoxypropyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3,3-diethoxypropyl)pyrrolidin-2-one is CCOC(CCN1CCCC1=O)OCC.
What is the InChIKey of 1-(3,3-diethoxypropyl)pyrrolidin-2-one?
The InChIKey is CAQCIGYCXAEVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-14-11(15-4-2)7-9-12-8-5-6-10(12)13/h11H,3-9H2,1-2H3.
What are the key properties of 1-(3,3-diethoxypropyl)pyrrolidin-2-one?
1-(3,3-diethoxypropyl)pyrrolidin-2-one has a molecular weight of 215.29 g/mol, XLogP of 1.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diethoxypropyl)pyrrolidin-2-one is sourced from PubChem (CID 63628099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).