3-pyrrolidin-1-ylpentan-2-one

C9H17NO — CID 67699479

IUPAC3-pyrrolidin-1-ylpentan-2-one
SMILESCCC(C(C)=O)N1CCCC1
InChIInChI=1S/C9H17NO/c1-3-9(8(2)11)10-6-4-5-7-10/h9H,3-7H2,1-2H3
InChIKeyRDPXXKUWQXFOHG-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.45
Rot. Bonds3

About 3-pyrrolidin-1-ylpentan-2-one

3-pyrrolidin-1-ylpentan-2-one (PubChem CID 67699479) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-pyrrolidin-1-ylpentan-2-one.

Molecular Properties

Compound Name3-pyrrolidin-1-ylpentan-2-one
PubChem CID67699479
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-pyrrolidin-1-ylpentan-2-one
SMILESCCC(C(C)=O)N1CCCC1
InChIInChI=1S/C9H17NO/c1-3-9(8(2)11)10-6-4-5-7-10/h9H,3-7H2,1-2H3
InChIKeyRDPXXKUWQXFOHG-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-ylpentan-2-one?
The IUPAC name of 3-pyrrolidin-1-ylpentan-2-one (CID 67699479) is 3-pyrrolidin-1-ylpentan-2-one.
What is the SMILES notation for 3-pyrrolidin-1-ylpentan-2-one?
The canonical SMILES for 3-pyrrolidin-1-ylpentan-2-one is CCC(C(C)=O)N1CCCC1.
What is the InChIKey of 3-pyrrolidin-1-ylpentan-2-one?
The InChIKey is RDPXXKUWQXFOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-9(8(2)11)10-6-4-5-7-10/h9H,3-7H2,1-2H3.
What are the key properties of 3-pyrrolidin-1-ylpentan-2-one?
3-pyrrolidin-1-ylpentan-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-ylpentan-2-one is sourced from PubChem (CID 67699479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).