[(3R)-1-methyl-3,6-dihydro-2H-pyridin-3-yl] carbonochloridate

C7H10ClNO2 — CID 89285752

IUPAC[(3R)-1-methyl-3,6-dihydro-2H-pyridin-3-yl] carbonochloridate
SMILESCN1CC=C[C@@H](OC(=O)Cl)C1
InChIInChI=1S/C7H10ClNO2/c1-9-4-2-3-6(5-9)11-7(8)10/h2-3,6H,4-5H2,1H3/t6-/m1/s1
InChIKeyJOAILSBPTFWIKE-ZCFIWIBFSA-N
MW175.62 g/mol
LogP1.23
Rot. Bonds1

About [(3R)-1-methyl-3,6-dihydro-2H-pyridin-3-yl] carbonochloridate

[(3R)-1-methyl-3,6-dihydro-2H-pyridin-3-yl] carbonochloridate (PubChem CID 89285752) has the molecular formula C7H10ClNO2 and a molecular weight of 175.62 g/mol. Its IUPAC name is [(3R)-1-methyl-3,6-dihydro-2H-pyridin-3-yl] carbonochloridate.

Molecular Properties

Compound Name[(3R)-1-methyl-3,6-dihydro-2H-pyridin-3-yl] carbonochloridate
PubChem CID89285752
Molecular FormulaC7H10ClNO2
Molecular Weight175.62 g/mol
Exact Mass175.04
IUPAC Name[(3R)-1-methyl-3,6-dihydro-2H-pyridin-3-yl] carbonochloridate
SMILESCN1CC=C[C@@H](OC(=O)Cl)C1
InChIInChI=1S/C7H10ClNO2/c1-9-4-2-3-6(5-9)11-7(8)10/h2-3,6H,4-5H2,1H3/t6-/m1/s1
InChIKeyJOAILSBPTFWIKE-ZCFIWIBFSA-N
XLogP1.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.62
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(3R)-1-methyl-3,6-dihydro-2H-pyridin-3-yl] carbonochloridate 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 [(3R)-1-methyl-3,6-dihydro-2H-pyridin-3-yl] carbonochloridate?
The IUPAC name of [(3R)-1-methyl-3,6-dihydro-2H-pyridin-3-yl] carbonochloridate (CID 89285752) is [(3R)-1-methyl-3,6-dihydro-2H-pyridin-3-yl] carbonochloridate.
What is the SMILES notation for [(3R)-1-methyl-3,6-dihydro-2H-pyridin-3-yl] carbonochloridate?
The canonical SMILES for [(3R)-1-methyl-3,6-dihydro-2H-pyridin-3-yl] carbonochloridate is CN1CC=C[C@@H](OC(=O)Cl)C1.
What is the InChIKey of [(3R)-1-methyl-3,6-dihydro-2H-pyridin-3-yl] carbonochloridate?
The InChIKey is JOAILSBPTFWIKE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H10ClNO2/c1-9-4-2-3-6(5-9)11-7(8)10/h2-3,6H,4-5H2,1H3/t6-/m1/s1.
What are the key properties of [(3R)-1-methyl-3,6-dihydro-2H-pyridin-3-yl] carbonochloridate?
[(3R)-1-methyl-3,6-dihydro-2H-pyridin-3-yl] carbonochloridate has a molecular weight of 175.62 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-methyl-3,6-dihydro-2H-pyridin-3-yl] carbonochloridate is sourced from PubChem (CID 89285752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).