2-chloro-1-[(2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl]ethanone

C10H16ClNO — CID 58781968

IUPAC2-chloro-1-[(2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl]ethanone
SMILESCC[C@@H]1CC(C(=O)CCl)=CCN1C
InChIInChI=1S/C10H16ClNO/c1-3-9-6-8(10(13)7-11)4-5-12(9)2/h4,9H,3,5-7H2,1-2H3/t9-/m1/s1
InChIKeyXNBKYZROOIREDQ-SECBINFHSA-N
MW201.70 g/mol
LogP1.83
Rot. Bonds3

About 2-chloro-1-[(2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl]ethanone

2-chloro-1-[(2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl]ethanone (PubChem CID 58781968) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 2-chloro-1-[(2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[(2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl]ethanone
PubChem CID58781968
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name2-chloro-1-[(2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl]ethanone
SMILESCC[C@@H]1CC(C(=O)CCl)=CCN1C
InChIInChI=1S/C10H16ClNO/c1-3-9-6-8(10(13)7-11)4-5-12(9)2/h4,9H,3,5-7H2,1-2H3/t9-/m1/s1
InChIKeyXNBKYZROOIREDQ-SECBINFHSA-N
XLogP1.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-1-[(2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl]ethanone 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 2-chloro-1-[(2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl]ethanone?
The IUPAC name of 2-chloro-1-[(2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl]ethanone (CID 58781968) is 2-chloro-1-[(2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[(2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl]ethanone?
The canonical SMILES for 2-chloro-1-[(2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl]ethanone is CC[C@@H]1CC(C(=O)CCl)=CCN1C.
What is the InChIKey of 2-chloro-1-[(2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl]ethanone?
The InChIKey is XNBKYZROOIREDQ-SECBINFHSA-N. The full InChI is InChI=1S/C10H16ClNO/c1-3-9-6-8(10(13)7-11)4-5-12(9)2/h4,9H,3,5-7H2,1-2H3/t9-/m1/s1.
What are the key properties of 2-chloro-1-[(2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl]ethanone?
2-chloro-1-[(2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl]ethanone has a molecular weight of 201.70 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[(2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl]ethanone is sourced from PubChem (CID 58781968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).