5-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one

C10H14N2O — CID 135308034

IUPAC5-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one
SMILESO=c1ccc(CN2CCCC2)c[nH]1
InChIInChI=1S/C10H14N2O/c13-10-4-3-9(7-11-10)8-12-5-1-2-6-12/h3-4,7H,1-2,5-6,8H2,(H,11,13)
InChIKeyTVJADEQYQFTXRR-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.97
Rot. Bonds2

About 5-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one

5-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one (PubChem CID 135308034) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 5-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one
PubChem CID135308034
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name5-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one
SMILESO=c1ccc(CN2CCCC2)c[nH]1
InChIInChI=1S/C10H14N2O/c13-10-4-3-9(7-11-10)8-12-5-1-2-6-12/h3-4,7H,1-2,5-6,8H2,(H,11,13)
InChIKeyTVJADEQYQFTXRR-UHFFFAOYSA-N
XLogP0.97
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one?
The IUPAC name of 5-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one (CID 135308034) is 5-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one is O=c1ccc(CN2CCCC2)c[nH]1.
What is the InChIKey of 5-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one?
The InChIKey is TVJADEQYQFTXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c13-10-4-3-9(7-11-10)8-12-5-1-2-6-12/h3-4,7H,1-2,5-6,8H2,(H,11,13).
What are the key properties of 5-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one?
5-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one has a molecular weight of 178.24 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one is sourced from PubChem (CID 135308034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).