2-[2-nitroso-2-(4-nitrosophenyl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C15H19N3O2 — CID 155001246

IUPAC2-[2-nitroso-2-(4-nitrosophenyl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESO=Nc1ccc(C(CN2CC3CCCC3C2)N=O)cc1
InChIInChI=1S/C15H19N3O2/c19-16-14-6-4-11(5-7-14)15(17-20)10-18-8-12-2-1-3-13(12)9-18/h4-7,12-13,15H,1-3,8-10H2
InChIKeyPLPWDKIFYPKSMJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.62
Rot. Bonds5

About 2-[2-nitroso-2-(4-nitrosophenyl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

2-[2-nitroso-2-(4-nitrosophenyl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 155001246) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[2-nitroso-2-(4-nitrosophenyl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name2-[2-nitroso-2-(4-nitrosophenyl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID155001246
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[2-nitroso-2-(4-nitrosophenyl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESO=Nc1ccc(C(CN2CC3CCCC3C2)N=O)cc1
InChIInChI=1S/C15H19N3O2/c19-16-14-6-4-11(5-7-14)15(17-20)10-18-8-12-2-1-3-13(12)9-18/h4-7,12-13,15H,1-3,8-10H2
InChIKeyPLPWDKIFYPKSMJ-UHFFFAOYSA-N
XLogP3.62
TPSA62.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-nitroso-2-(4-nitrosophenyl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole 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-[2-nitroso-2-(4-nitrosophenyl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 2-[2-nitroso-2-(4-nitrosophenyl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 155001246) is 2-[2-nitroso-2-(4-nitrosophenyl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 2-[2-nitroso-2-(4-nitrosophenyl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 2-[2-nitroso-2-(4-nitrosophenyl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is O=Nc1ccc(C(CN2CC3CCCC3C2)N=O)cc1.
What is the InChIKey of 2-[2-nitroso-2-(4-nitrosophenyl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is PLPWDKIFYPKSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-16-14-6-4-11(5-7-14)15(17-20)10-18-8-12-2-1-3-13(12)9-18/h4-7,12-13,15H,1-3,8-10H2.
What are the key properties of 2-[2-nitroso-2-(4-nitrosophenyl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
2-[2-nitroso-2-(4-nitrosophenyl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 273.34 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-nitroso-2-(4-nitrosophenyl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 155001246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).