2-(5-tert-butyl-2-pyridinyl)-1-[(2S)-pyrrolidin-2-yl]ethanone

C15H22N2O — CID 158131432

IUPAC2-(5-tert-butyl-2-pyridinyl)-1-[(2S)-pyrrolidin-2-yl]ethanone
SMILESCC(C)(C)c1ccc(CC(=O)[C@@H]2CCCN2)nc1
InChIInChI=1S/C15H22N2O/c1-15(2,3)11-6-7-12(17-10-11)9-14(18)13-5-4-8-16-13/h6-7,10,13,16H,4-5,8-9H2,1-3H3/t13-/m0/s1
InChIKeyVIHHYYNQUHENST-ZDUSSCGKSA-N
MW246.35 g/mol
LogP2.24
Rot. Bonds3

About 2-(5-tert-butyl-2-pyridinyl)-1-[(2S)-pyrrolidin-2-yl]ethanone

2-(5-tert-butyl-2-pyridinyl)-1-[(2S)-pyrrolidin-2-yl]ethanone (PubChem CID 158131432) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-pyridinyl)-1-[(2S)-pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name2-(5-tert-butyl-2-pyridinyl)-1-[(2S)-pyrrolidin-2-yl]ethanone
PubChem CID158131432
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(5-tert-butyl-2-pyridinyl)-1-[(2S)-pyrrolidin-2-yl]ethanone
SMILESCC(C)(C)c1ccc(CC(=O)[C@@H]2CCCN2)nc1
InChIInChI=1S/C15H22N2O/c1-15(2,3)11-6-7-12(17-10-11)9-14(18)13-5-4-8-16-13/h6-7,10,13,16H,4-5,8-9H2,1-3H3/t13-/m0/s1
InChIKeyVIHHYYNQUHENST-ZDUSSCGKSA-N
XLogP2.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-piperidin-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 58563887
2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-piperidin-2-yl]ethanone
CID 58563745
2-(5-tert-butyl-1,2-oxazol-3-yl)-1-piperidin-2-ylethanone;hydrochloride
CID 160809244
2-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-1-[(2S)-pyrrolidin-2-yl]ethanone
CID 159267261
azepan-2-yl-(4-tert-butylphenyl)methanone
CID 70558460
2-(4-tert-butyl-1,3-oxazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone
CID 58564094
N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82132903
2-(4-ethylphenyl)-1-piperidin-2-ylethanone
CID 116547776
2-[5-[[(2S)-piperidine-2-carbonyl]amino]-2-pyridinyl]acetic acid
CID 107341016
2-(4-tert-butyl-1,3-oxazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride
CID 160910625
2-[4-(2-methylpropyl)phenyl]-1-[(2S)-pyrrolidin-2-yl]ethanone
CID 147204256
2-(2-amino-4-pyridinyl)-1-pyrrolidin-2-ylethanone
CID 116547431

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-pyridinyl)-1-[(2S)-pyrrolidin-2-yl]ethanone?
The IUPAC name of 2-(5-tert-butyl-2-pyridinyl)-1-[(2S)-pyrrolidin-2-yl]ethanone (CID 158131432) is 2-(5-tert-butyl-2-pyridinyl)-1-[(2S)-pyrrolidin-2-yl]ethanone.
What is the SMILES notation for 2-(5-tert-butyl-2-pyridinyl)-1-[(2S)-pyrrolidin-2-yl]ethanone?
The canonical SMILES for 2-(5-tert-butyl-2-pyridinyl)-1-[(2S)-pyrrolidin-2-yl]ethanone is CC(C)(C)c1ccc(CC(=O)[C@@H]2CCCN2)nc1.
What is the InChIKey of 2-(5-tert-butyl-2-pyridinyl)-1-[(2S)-pyrrolidin-2-yl]ethanone?
The InChIKey is VIHHYYNQUHENST-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O/c1-15(2,3)11-6-7-12(17-10-11)9-14(18)13-5-4-8-16-13/h6-7,10,13,16H,4-5,8-9H2,1-3H3/t13-/m0/s1.
What are the key properties of 2-(5-tert-butyl-2-pyridinyl)-1-[(2S)-pyrrolidin-2-yl]ethanone?
2-(5-tert-butyl-2-pyridinyl)-1-[(2S)-pyrrolidin-2-yl]ethanone has a molecular weight of 246.35 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-pyridinyl)-1-[(2S)-pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 158131432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).