1-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]ethanone

C12H16N2O — CID 66713611

IUPAC1-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(C2CCCN2C)cn1
InChIInChI=1S/C12H16N2O/c1-9(15)11-6-5-10(8-13-11)12-4-3-7-14(12)2/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyUNRUJDUZSUBZJM-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.05
Rot. Bonds2

About 1-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]ethanone

1-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]ethanone (PubChem CID 66713611) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]ethanone
PubChem CID66713611
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(C2CCCN2C)cn1
InChIInChI=1S/C12H16N2O/c1-9(15)11-6-5-10(8-13-11)12-4-3-7-14(12)2/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyUNRUJDUZSUBZJM-UHFFFAOYSA-N
XLogP2.05
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]ethanone (CID 66713611) is 1-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]ethanone is CC(=O)c1ccc(C2CCCN2C)cn1.
What is the InChIKey of 1-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]ethanone?
The InChIKey is UNRUJDUZSUBZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9(15)11-6-5-10(8-13-11)12-4-3-7-14(12)2/h5-6,8,12H,3-4,7H2,1-2H3.
What are the key properties of 1-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]ethanone?
1-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]ethanone has a molecular weight of 204.27 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]ethanone is sourced from PubChem (CID 66713611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).