1-(pyrrolidin-3-ylmethyl)pyrrolidin-2-one

C9H16N2O — CID 62370906

IUPAC1-(pyrrolidin-3-ylmethyl)pyrrolidin-2-one
SMILESO=C1CCCN1CC1CCNC1
InChIInChI=1S/C9H16N2O/c12-9-2-1-5-11(9)7-8-3-4-10-6-8/h8,10H,1-7H2
InChIKeyUOEQVGGEGKRRLM-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.22
Rot. Bonds2

About 1-(pyrrolidin-3-ylmethyl)pyrrolidin-2-one

1-(pyrrolidin-3-ylmethyl)pyrrolidin-2-one (PubChem CID 62370906) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(pyrrolidin-3-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(pyrrolidin-3-ylmethyl)pyrrolidin-2-one
PubChem CID62370906
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-(pyrrolidin-3-ylmethyl)pyrrolidin-2-one
SMILESO=C1CCCN1CC1CCNC1
InChIInChI=1S/C9H16N2O/c12-9-2-1-5-11(9)7-8-3-4-10-6-8/h8,10H,1-7H2
InChIKeyUOEQVGGEGKRRLM-UHFFFAOYSA-N
XLogP0.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidin-3-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 1-(pyrrolidin-3-ylmethyl)pyrrolidin-2-one (CID 62370906) is 1-(pyrrolidin-3-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(pyrrolidin-3-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(pyrrolidin-3-ylmethyl)pyrrolidin-2-one is O=C1CCCN1CC1CCNC1.
What is the InChIKey of 1-(pyrrolidin-3-ylmethyl)pyrrolidin-2-one?
The InChIKey is UOEQVGGEGKRRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c12-9-2-1-5-11(9)7-8-3-4-10-6-8/h8,10H,1-7H2.
What are the key properties of 1-(pyrrolidin-3-ylmethyl)pyrrolidin-2-one?
1-(pyrrolidin-3-ylmethyl)pyrrolidin-2-one has a molecular weight of 168.24 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidin-3-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 62370906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).