(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone

C12H16N2O — CID 84514744

IUPAC(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone
SMILESCCC1CCCN1C(=O)c1ccncc1
InChIInChI=1S/C12H16N2O/c1-2-11-4-3-9-14(11)12(15)10-5-7-13-8-6-10/h5-8,11H,2-4,9H2,1H3
InChIKeyYFEUSXZOAXTSNM-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.10
Rot. Bonds2

About (2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone

(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone (PubChem CID 84514744) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone.

Molecular Properties

Compound Name(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone
PubChem CID84514744
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone
SMILESCCC1CCCN1C(=O)c1ccncc1
InChIInChI=1S/C12H16N2O/c1-2-11-4-3-9-14(11)12(15)10-5-7-13-8-6-10/h5-8,11H,2-4,9H2,1H3
InChIKeyYFEUSXZOAXTSNM-UHFFFAOYSA-N
XLogP2.10
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
1-[1-(pyridine-4-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79541349
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 71805873
(2-ethylpyrrolidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 110619094
[4-(aminomethyl)phenyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 55029111
(2-chloro-4-pyridinyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974569
[2-(hydroxymethyl)azepan-1-yl]-pyridin-4-ylmethanone
CID 116636376
5-[(2S)-2-ethylpyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 58714763
5-(2-ethylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 21062091
N-[4-(2-ethylpyrrolidine-1-carbonyl)phenyl]acetamide
CID 110671105
[2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 63249644

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone?
The IUPAC name of (2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone (CID 84514744) is (2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone.
What is the SMILES notation for (2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone?
The canonical SMILES for (2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone is CCC1CCCN1C(=O)c1ccncc1.
What is the InChIKey of (2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone?
The InChIKey is YFEUSXZOAXTSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-11-4-3-9-14(11)12(15)10-5-7-13-8-6-10/h5-8,11H,2-4,9H2,1H3.
What are the key properties of (2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone?
(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone has a molecular weight of 204.27 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone is sourced from PubChem (CID 84514744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).