2-pyrrolidin-1-ylpentan-3-one

C9H17NO — CID 64868866

IUPAC2-pyrrolidin-1-ylpentan-3-one
SMILESCCC(=O)C(C)N1CCCC1
InChIInChI=1S/C9H17NO/c1-3-9(11)8(2)10-6-4-5-7-10/h8H,3-7H2,1-2H3
InChIKeyURXJQXJRZXGXTQ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.45
Rot. Bonds3

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

2-pyrrolidin-1-ylpentan-3-one (PubChem CID 64868866) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylpentan-3-one.

Molecular Properties

Compound Name2-pyrrolidin-1-ylpentan-3-one
PubChem CID64868866
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-pyrrolidin-1-ylpentan-3-one
SMILESCCC(=O)C(C)N1CCCC1
InChIInChI=1S/C9H17NO/c1-3-9(11)8(2)10-6-4-5-7-10/h8H,3-7H2,1-2H3
InChIKeyURXJQXJRZXGXTQ-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 2-pyrrolidin-1-ylpentan-3-one?
The IUPAC name of 2-pyrrolidin-1-ylpentan-3-one (CID 64868866) is 2-pyrrolidin-1-ylpentan-3-one.
What is the SMILES notation for 2-pyrrolidin-1-ylpentan-3-one?
The canonical SMILES for 2-pyrrolidin-1-ylpentan-3-one is CCC(=O)C(C)N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylpentan-3-one?
The InChIKey is URXJQXJRZXGXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-9(11)8(2)10-6-4-5-7-10/h8H,3-7H2,1-2H3.
What are the key properties of 2-pyrrolidin-1-ylpentan-3-one?
2-pyrrolidin-1-ylpentan-3-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 2-pyrrolidin-1-ylpentan-3-one is sourced from PubChem (CID 64868866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).