(8-ethyl-8-azabicyclo[3.2.1]octan-3-yl) carbonochloridate

C10H16ClNO2 — CID 14762754

IUPAC(8-ethyl-8-azabicyclo[3.2.1]octan-3-yl) carbonochloridate
SMILESCCN1C2CCC1CC(OC(=O)Cl)C2
InChIInChI=1S/C10H16ClNO2/c1-2-12-7-3-4-8(12)6-9(5-7)14-10(11)13/h7-9H,2-6H2,1H3
InChIKeyWLTVJFGREOJCAM-UHFFFAOYSA-N
MW217.70 g/mol
LogP2.38
Rot. Bonds2

About (8-ethyl-8-azabicyclo[3.2.1]octan-3-yl) carbonochloridate

(8-ethyl-8-azabicyclo[3.2.1]octan-3-yl) carbonochloridate (PubChem CID 14762754) has the molecular formula C10H16ClNO2 and a molecular weight of 217.70 g/mol. Its IUPAC name is (8-ethyl-8-azabicyclo[3.2.1]octan-3-yl) carbonochloridate.

Molecular Properties

Compound Name(8-ethyl-8-azabicyclo[3.2.1]octan-3-yl) carbonochloridate
PubChem CID14762754
Molecular FormulaC10H16ClNO2
Molecular Weight217.70 g/mol
Exact Mass217.09
IUPAC Name(8-ethyl-8-azabicyclo[3.2.1]octan-3-yl) carbonochloridate
SMILESCCN1C2CCC1CC(OC(=O)Cl)C2
InChIInChI=1S/C10H16ClNO2/c1-2-12-7-3-4-8(12)6-9(5-7)14-10(11)13/h7-9H,2-6H2,1H3
InChIKeyWLTVJFGREOJCAM-UHFFFAOYSA-N
XLogP2.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (8-ethyl-8-azabicyclo[3.2.1]octan-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 (8-ethyl-8-azabicyclo[3.2.1]octan-3-yl) carbonochloridate?
The IUPAC name of (8-ethyl-8-azabicyclo[3.2.1]octan-3-yl) carbonochloridate (CID 14762754) is (8-ethyl-8-azabicyclo[3.2.1]octan-3-yl) carbonochloridate.
What is the SMILES notation for (8-ethyl-8-azabicyclo[3.2.1]octan-3-yl) carbonochloridate?
The canonical SMILES for (8-ethyl-8-azabicyclo[3.2.1]octan-3-yl) carbonochloridate is CCN1C2CCC1CC(OC(=O)Cl)C2.
What is the InChIKey of (8-ethyl-8-azabicyclo[3.2.1]octan-3-yl) carbonochloridate?
The InChIKey is WLTVJFGREOJCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO2/c1-2-12-7-3-4-8(12)6-9(5-7)14-10(11)13/h7-9H,2-6H2,1H3.
What are the key properties of (8-ethyl-8-azabicyclo[3.2.1]octan-3-yl) carbonochloridate?
(8-ethyl-8-azabicyclo[3.2.1]octan-3-yl) carbonochloridate has a molecular weight of 217.70 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-ethyl-8-azabicyclo[3.2.1]octan-3-yl) carbonochloridate is sourced from PubChem (CID 14762754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).