(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-cyclopropylmethanone

C11H16ClNO — CID 63762779

IUPAC(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-cyclopropylmethanone
SMILESO=C(C1CC1)N1C2CCC1CC(Cl)C2
InChIInChI=1S/C11H16ClNO/c12-8-5-9-3-4-10(6-8)13(9)11(14)7-1-2-7/h7-10H,1-6H2
InChIKeyOVYKUORHPIQERW-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.16
Rot. Bonds1

About (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-cyclopropylmethanone

(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-cyclopropylmethanone (PubChem CID 63762779) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-cyclopropylmethanone.

Molecular Properties

Compound Name(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-cyclopropylmethanone
PubChem CID63762779
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-cyclopropylmethanone
SMILESO=C(C1CC1)N1C2CCC1CC(Cl)C2
InChIInChI=1S/C11H16ClNO/c12-8-5-9-3-4-10(6-8)13(9)11(14)7-1-2-7/h7-10H,1-6H2
InChIKeyOVYKUORHPIQERW-UHFFFAOYSA-N
XLogP2.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-cyclopropylmethanone 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 (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-cyclopropylmethanone?
The IUPAC name of (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-cyclopropylmethanone (CID 63762779) is (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-cyclopropylmethanone.
What is the SMILES notation for (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-cyclopropylmethanone?
The canonical SMILES for (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-cyclopropylmethanone is O=C(C1CC1)N1C2CCC1CC(Cl)C2.
What is the InChIKey of (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-cyclopropylmethanone?
The InChIKey is OVYKUORHPIQERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c12-8-5-9-3-4-10(6-8)13(9)11(14)7-1-2-7/h7-10H,1-6H2.
What are the key properties of (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-cyclopropylmethanone?
(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-cyclopropylmethanone has a molecular weight of 213.71 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-cyclopropylmethanone is sourced from PubChem (CID 63762779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).