1-[2-[(1,3-dichloro-2-methylpropan-2-yl)amino]ethyl]pyridin-2-one

C11H16Cl2N2O — CID 82907883

IUPAC1-[2-[(1,3-dichloro-2-methylpropan-2-yl)amino]ethyl]pyridin-2-one
SMILESCC(CCl)(CCl)NCCn1ccccc1=O
InChIInChI=1S/C11H16Cl2N2O/c1-11(8-12,9-13)14-5-7-15-6-3-2-4-10(15)16/h2-4,6,14H,5,7-9H2,1H3
InChIKeyBZJUHCRPYKURJK-UHFFFAOYSA-N
MW263.17 g/mol
LogP1.67
Rot. Bonds6

About 1-[2-[(1,3-dichloro-2-methylpropan-2-yl)amino]ethyl]pyridin-2-one

1-[2-[(1,3-dichloro-2-methylpropan-2-yl)amino]ethyl]pyridin-2-one (PubChem CID 82907883) has the molecular formula C11H16Cl2N2O and a molecular weight of 263.17 g/mol. Its IUPAC name is 1-[2-[(1,3-dichloro-2-methylpropan-2-yl)amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(1,3-dichloro-2-methylpropan-2-yl)amino]ethyl]pyridin-2-one
PubChem CID82907883
Molecular FormulaC11H16Cl2N2O
Molecular Weight263.17 g/mol
Exact Mass262.06
IUPAC Name1-[2-[(1,3-dichloro-2-methylpropan-2-yl)amino]ethyl]pyridin-2-one
SMILESCC(CCl)(CCl)NCCn1ccccc1=O
InChIInChI=1S/C11H16Cl2N2O/c1-11(8-12,9-13)14-5-7-15-6-3-2-4-10(15)16/h2-4,6,14H,5,7-9H2,1H3
InChIKeyBZJUHCRPYKURJK-UHFFFAOYSA-N
XLogP1.67
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-[(1,3-dichloro-2-methylpropan-2-yl)amino]ethyl]pyridin-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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1,3-dichloro-2-methylpropan-2-yl)amino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[(1,3-dichloro-2-methylpropan-2-yl)amino]ethyl]pyridin-2-one (CID 82907883) is 1-[2-[(1,3-dichloro-2-methylpropan-2-yl)amino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[(1,3-dichloro-2-methylpropan-2-yl)amino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[(1,3-dichloro-2-methylpropan-2-yl)amino]ethyl]pyridin-2-one is CC(CCl)(CCl)NCCn1ccccc1=O.
What is the InChIKey of 1-[2-[(1,3-dichloro-2-methylpropan-2-yl)amino]ethyl]pyridin-2-one?
The InChIKey is BZJUHCRPYKURJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O/c1-11(8-12,9-13)14-5-7-15-6-3-2-4-10(15)16/h2-4,6,14H,5,7-9H2,1H3.
What are the key properties of 1-[2-[(1,3-dichloro-2-methylpropan-2-yl)amino]ethyl]pyridin-2-one?
1-[2-[(1,3-dichloro-2-methylpropan-2-yl)amino]ethyl]pyridin-2-one has a molecular weight of 263.17 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1,3-dichloro-2-methylpropan-2-yl)amino]ethyl]pyridin-2-one is sourced from PubChem (CID 82907883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).