8-azabicyclo[3.2.1]oct-2-en-8-yl-(5-chlorothiophen-2-yl)methanone

C12H12ClNOS — CID 73168734

IUPAC8-azabicyclo[3.2.1]oct-2-en-8-yl-(5-chlorothiophen-2-yl)methanone
SMILESO=C(c1ccc(Cl)s1)N1C2C=CCC1CC2
InChIInChI=1S/C12H12ClNOS/c13-11-7-6-10(16-11)12(15)14-8-2-1-3-9(14)5-4-8/h1-2,6-9H,3-5H2
InChIKeyOAIXPWKDPKYLNB-UHFFFAOYSA-N
MW253.75 g/mol
LogP3.33
Rot. Bonds1

About 8-azabicyclo[3.2.1]oct-2-en-8-yl-(5-chlorothiophen-2-yl)methanone

8-azabicyclo[3.2.1]oct-2-en-8-yl-(5-chlorothiophen-2-yl)methanone (PubChem CID 73168734) has the molecular formula C12H12ClNOS and a molecular weight of 253.75 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]oct-2-en-8-yl-(5-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]oct-2-en-8-yl-(5-chlorothiophen-2-yl)methanone
PubChem CID73168734
Molecular FormulaC12H12ClNOS
Molecular Weight253.75 g/mol
Exact Mass253.03
IUPAC Name8-azabicyclo[3.2.1]oct-2-en-8-yl-(5-chlorothiophen-2-yl)methanone
SMILESO=C(c1ccc(Cl)s1)N1C2C=CCC1CC2
InChIInChI=1S/C12H12ClNOS/c13-11-7-6-10(16-11)12(15)14-8-2-1-3-9(14)5-4-8/h1-2,6-9H,3-5H2
InChIKeyOAIXPWKDPKYLNB-UHFFFAOYSA-N
XLogP3.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-azabicyclo[3.2.1]oct-2-en-8-yl-(5-chlorothiophen-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-cyclopentylthiophene-2-carboxamide
CID 1244060
(5-Chlorothiophen-2-yl)(4-methyl-1,4-diazepan-1-yl)methanone
CID 6467948
5-chloro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 1246945
(5-Ethylthiophen-2-yl)(pyrrolidin-1-yl)methanone
CID 1246054
1-(Thiophene-2-carbonyl)pyrrolidine
CID 825289
(5-Chlorothiophen-2-yl)-pyrrolidin-1-ylmethanone
CID 1247382
N-[(5-chlorothiophen-2-yl)methyl]thiophene-2-carboxamide
CID 32828451
(5-chlorothiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38167850
5-chloro-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-carboxamide
CID 45236630
n-(1-(5-Chlorothiophen-2-yl)ethyl)thiophene-2-carboxamide
CID 45879082
2-(2-Pyrrolidinylethyl)piperidyl 2-thienyl ketone
CID 23607098
2-(4-Chlorophenyl)pyrrolidinyl 2-thienyl ketone
CID 42953211

Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]oct-2-en-8-yl-(5-chlorothiophen-2-yl)methanone?
The IUPAC name of 8-azabicyclo[3.2.1]oct-2-en-8-yl-(5-chlorothiophen-2-yl)methanone (CID 73168734) is 8-azabicyclo[3.2.1]oct-2-en-8-yl-(5-chlorothiophen-2-yl)methanone.
What is the SMILES notation for 8-azabicyclo[3.2.1]oct-2-en-8-yl-(5-chlorothiophen-2-yl)methanone?
The canonical SMILES for 8-azabicyclo[3.2.1]oct-2-en-8-yl-(5-chlorothiophen-2-yl)methanone is O=C(c1ccc(Cl)s1)N1C2C=CCC1CC2.
What is the InChIKey of 8-azabicyclo[3.2.1]oct-2-en-8-yl-(5-chlorothiophen-2-yl)methanone?
The InChIKey is OAIXPWKDPKYLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNOS/c13-11-7-6-10(16-11)12(15)14-8-2-1-3-9(14)5-4-8/h1-2,6-9H,3-5H2.
What are the key properties of 8-azabicyclo[3.2.1]oct-2-en-8-yl-(5-chlorothiophen-2-yl)methanone?
8-azabicyclo[3.2.1]oct-2-en-8-yl-(5-chlorothiophen-2-yl)methanone has a molecular weight of 253.75 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]oct-2-en-8-yl-(5-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 73168734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).