2-cyclobutyl-1-(3-propylpyrrolidin-3-yl)ethanone

C13H23NO — CID 116570525

IUPAC2-cyclobutyl-1-(3-propylpyrrolidin-3-yl)ethanone
SMILESCCCC1(C(=O)CC2CCC2)CCNC1
InChIInChI=1S/C13H23NO/c1-2-6-13(7-8-14-10-13)12(15)9-11-4-3-5-11/h11,14H,2-10H2,1H3
InChIKeyPSUZBVWFJMPMSE-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.53
Rot. Bonds5

About 2-cyclobutyl-1-(3-propylpyrrolidin-3-yl)ethanone

2-cyclobutyl-1-(3-propylpyrrolidin-3-yl)ethanone (PubChem CID 116570525) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-cyclobutyl-1-(3-propylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-cyclobutyl-1-(3-propylpyrrolidin-3-yl)ethanone
PubChem CID116570525
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-cyclobutyl-1-(3-propylpyrrolidin-3-yl)ethanone
SMILESCCCC1(C(=O)CC2CCC2)CCNC1
InChIInChI=1S/C13H23NO/c1-2-6-13(7-8-14-10-13)12(15)9-11-4-3-5-11/h11,14H,2-10H2,1H3
InChIKeyPSUZBVWFJMPMSE-UHFFFAOYSA-N
XLogP2.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(3-propylpyrrolidin-3-yl)ethanone?
The IUPAC name of 2-cyclobutyl-1-(3-propylpyrrolidin-3-yl)ethanone (CID 116570525) is 2-cyclobutyl-1-(3-propylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 2-cyclobutyl-1-(3-propylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 2-cyclobutyl-1-(3-propylpyrrolidin-3-yl)ethanone is CCCC1(C(=O)CC2CCC2)CCNC1.
What is the InChIKey of 2-cyclobutyl-1-(3-propylpyrrolidin-3-yl)ethanone?
The InChIKey is PSUZBVWFJMPMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-6-13(7-8-14-10-13)12(15)9-11-4-3-5-11/h11,14H,2-10H2,1H3.
What are the key properties of 2-cyclobutyl-1-(3-propylpyrrolidin-3-yl)ethanone?
2-cyclobutyl-1-(3-propylpyrrolidin-3-yl)ethanone has a molecular weight of 209.33 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(3-propylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 116570525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).