4-tert-butyl-1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrrolidin-2-one

C14H21ClN4O — CID 104512793

IUPAC4-tert-butyl-1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrrolidin-2-one
SMILESCC(C)(C)C1CC(=O)N(Cc2nc(NN)ccc2Cl)C1
InChIInChI=1S/C14H21ClN4O/c1-14(2,3)9-6-13(20)19(7-9)8-11-10(15)4-5-12(17-11)18-16/h4-5,9H,6-8,16H2,1-3H3,(H,17,18)
InChIKeyAMVDKYYBUYRONO-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.42
Rot. Bonds3

About 4-tert-butyl-1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrrolidin-2-one

4-tert-butyl-1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrrolidin-2-one (PubChem CID 104512793) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 4-tert-butyl-1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-tert-butyl-1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrrolidin-2-one
PubChem CID104512793
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name4-tert-butyl-1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrrolidin-2-one
SMILESCC(C)(C)C1CC(=O)N(Cc2nc(NN)ccc2Cl)C1
InChIInChI=1S/C14H21ClN4O/c1-14(2,3)9-6-13(20)19(7-9)8-11-10(15)4-5-12(17-11)18-16/h4-5,9H,6-8,16H2,1-3H3,(H,17,18)
InChIKeyAMVDKYYBUYRONO-UHFFFAOYSA-N
XLogP2.42
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-tert-butyl-1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-ethylpiperazine-2,5-dione
CID 79942594
1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-methylpiperazine-2,3-dione
CID 62929636
1-[(5-amino-2-chlorophenyl)methyl]-4-tert-butylpyrrolidin-2-one
CID 104510943
1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one
CID 104512673
4-tert-butyl-1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidin-2-one
CID 104512764
4-tert-butyl-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-one
CID 104512795
1-[(2-amino-5-chlorophenyl)methyl]-4-tert-butylpyrrolidin-2-one
CID 104510939
1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-4-tert-butylpyrrolidin-2-one
CID 103182948
[5-chloro-6-[(3-methylpiperidin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 62891367
1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-4-tert-butylpyrrolidin-2-one
CID 104510941
tert-butyl 2-(3-chloro-6-hydrazinyl-2-pyridinyl)acetate
CID 163388939
[5-chloro-6-(2,3-dihydroindol-1-ylmethyl)-2-pyridinyl]hydrazine
CID 62890665

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-tert-butyl-1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrrolidin-2-one (CID 104512793) is 4-tert-butyl-1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-tert-butyl-1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-tert-butyl-1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrrolidin-2-one is CC(C)(C)C1CC(=O)N(Cc2nc(NN)ccc2Cl)C1.
What is the InChIKey of 4-tert-butyl-1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrrolidin-2-one?
The InChIKey is AMVDKYYBUYRONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-14(2,3)9-6-13(20)19(7-9)8-11-10(15)4-5-12(17-11)18-16/h4-5,9H,6-8,16H2,1-3H3,(H,17,18).
What are the key properties of 4-tert-butyl-1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrrolidin-2-one?
4-tert-butyl-1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrrolidin-2-one has a molecular weight of 296.80 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 104512793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).