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

C9H17NO — CID 24972218

IUPAC1-(1-propylpyrrolidin-3-yl)ethanone
SMILESCCCN1CCC(C(C)=O)C1
InChIInChI=1S/C9H17NO/c1-3-5-10-6-4-9(7-10)8(2)11/h9H,3-7H2,1-2H3
InChIKeyDRZNIQXRRNKDFQ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.31
Rot. Bonds3

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

1-(1-propylpyrrolidin-3-yl)ethanone (PubChem CID 24972218) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(1-propylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-propylpyrrolidin-3-yl)ethanone
PubChem CID24972218
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(1-propylpyrrolidin-3-yl)ethanone
SMILESCCCN1CCC(C(C)=O)C1
InChIInChI=1S/C9H17NO/c1-3-5-10-6-4-9(7-10)8(2)11/h9H,3-7H2,1-2H3
InChIKeyDRZNIQXRRNKDFQ-UHFFFAOYSA-N
XLogP1.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propylpyrrolidin-3-yl)ethanone?
The IUPAC name of 1-(1-propylpyrrolidin-3-yl)ethanone (CID 24972218) is 1-(1-propylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 1-(1-propylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 1-(1-propylpyrrolidin-3-yl)ethanone is CCCN1CCC(C(C)=O)C1.
What is the InChIKey of 1-(1-propylpyrrolidin-3-yl)ethanone?
The InChIKey is DRZNIQXRRNKDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-5-10-6-4-9(7-10)8(2)11/h9H,3-7H2,1-2H3.
What are the key properties of 1-(1-propylpyrrolidin-3-yl)ethanone?
1-(1-propylpyrrolidin-3-yl)ethanone has a molecular weight of 155.24 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 24972218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).