1-pyrrolidin-3-ylpiperidin-2-one

C9H16N2O — CID 62329305

IUPAC1-pyrrolidin-3-ylpiperidin-2-one
SMILESO=C1CCCCN1C1CCNC1
InChIInChI=1S/C9H16N2O/c12-9-3-1-2-6-11(9)8-4-5-10-7-8/h8,10H,1-7H2
InChIKeyPNOUDZLMWIXLQI-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.36
Rot. Bonds1

About 1-pyrrolidin-3-ylpiperidin-2-one

1-pyrrolidin-3-ylpiperidin-2-one (PubChem CID 62329305) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-pyrrolidin-3-ylpiperidin-2-one.

Molecular Properties

Compound Name1-pyrrolidin-3-ylpiperidin-2-one
PubChem CID62329305
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-pyrrolidin-3-ylpiperidin-2-one
SMILESO=C1CCCCN1C1CCNC1
InChIInChI=1S/C9H16N2O/c12-9-3-1-2-6-11(9)8-4-5-10-7-8/h8,10H,1-7H2
InChIKeyPNOUDZLMWIXLQI-UHFFFAOYSA-N
XLogP0.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-3-ylpiperidin-2-one?
The IUPAC name of 1-pyrrolidin-3-ylpiperidin-2-one (CID 62329305) is 1-pyrrolidin-3-ylpiperidin-2-one.
What is the SMILES notation for 1-pyrrolidin-3-ylpiperidin-2-one?
The canonical SMILES for 1-pyrrolidin-3-ylpiperidin-2-one is O=C1CCCCN1C1CCNC1.
What is the InChIKey of 1-pyrrolidin-3-ylpiperidin-2-one?
The InChIKey is PNOUDZLMWIXLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c12-9-3-1-2-6-11(9)8-4-5-10-7-8/h8,10H,1-7H2.
What are the key properties of 1-pyrrolidin-3-ylpiperidin-2-one?
1-pyrrolidin-3-ylpiperidin-2-one has a molecular weight of 168.24 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-3-ylpiperidin-2-one is sourced from PubChem (CID 62329305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).