4-tert-butyl-1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-one

C14H17ClN2O2 — CID 104511734

IUPAC4-tert-butyl-1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-one
SMILESCC(C)(C)C1CC(=O)N(C(=O)c2cc(Cl)ccn2)C1
InChIInChI=1S/C14H17ClN2O2/c1-14(2,3)9-6-12(18)17(8-9)13(19)11-7-10(15)4-5-16-11/h4-5,7,9H,6,8H2,1-3H3
InChIKeyBFTAGMMHLMEJOG-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.77
Rot. Bonds1

About 4-tert-butyl-1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-one

4-tert-butyl-1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-one (PubChem CID 104511734) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 4-tert-butyl-1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-tert-butyl-1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-one
PubChem CID104511734
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name4-tert-butyl-1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-one
SMILESCC(C)(C)C1CC(=O)N(C(=O)c2cc(Cl)ccn2)C1
InChIInChI=1S/C14H17ClN2O2/c1-14(2,3)9-6-12(18)17(8-9)13(19)11-7-10(15)4-5-16-11/h4-5,7,9H,6,8H2,1-3H3
InChIKeyBFTAGMMHLMEJOG-UHFFFAOYSA-N
XLogP2.77
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-1-(2-chloropyridine-4-carbonyl)pyrrolidin-2-one
CID 104511754
1-(4-chloro-2-pyridinyl)-2,2-dimethylpropan-1-one
CID 140918459
1-(5-bromothiophene-3-carbonyl)-4-tert-butylpyrrolidin-2-one
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2-[1-(4-chloropyridine-2-carbonyl)azetidin-3-yl]acetic acid
CID 64603963
(4-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706730
(4-chloro-2-pyridinyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone
CID 24541508
(4-chloro-2-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 60656502
4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 64669402
(3R)-1-(4-chloropyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 81118172
(2,5-dioxopyrrolidin-1-yl) 4-chloropyridine-2-carboxylate
CID 154824703
2-(4-tert-butylazepane-1-carbonyl)pyridine-4-carboxylic acid
CID 122055710
(4-chloro-2-pyridinyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 113239864

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-one?
The IUPAC name of 4-tert-butyl-1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-one (CID 104511734) is 4-tert-butyl-1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 4-tert-butyl-1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 4-tert-butyl-1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-one is CC(C)(C)C1CC(=O)N(C(=O)c2cc(Cl)ccn2)C1.
What is the InChIKey of 4-tert-butyl-1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-one?
The InChIKey is BFTAGMMHLMEJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-14(2,3)9-6-12(18)17(8-9)13(19)11-7-10(15)4-5-16-11/h4-5,7,9H,6,8H2,1-3H3.
What are the key properties of 4-tert-butyl-1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-one?
4-tert-butyl-1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-one has a molecular weight of 280.75 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 104511734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).