3-azido-2-(cyclopenten-1-yl)thiophene

C9H9N3S — CID 152620812

IUPAC3-azido-2-(cyclopenten-1-yl)thiophene
SMILES[N-]=[N+]=Nc1ccsc1C1=CCCC1
InChIInChI=1S/C9H9N3S/c10-12-11-8-5-6-13-9(8)7-3-1-2-4-7/h3,5-6H,1-2,4H2
InChIKeyZBMDYHYXMMGNKX-UHFFFAOYSA-N
MW191.26 g/mol
LogP4.26
Rot. Bonds2

About 3-azido-2-(cyclopenten-1-yl)thiophene

3-azido-2-(cyclopenten-1-yl)thiophene (PubChem CID 152620812) has the molecular formula C9H9N3S and a molecular weight of 191.26 g/mol. Its IUPAC name is 3-azido-2-(cyclopenten-1-yl)thiophene.

Molecular Properties

Compound Name3-azido-2-(cyclopenten-1-yl)thiophene
PubChem CID152620812
Molecular FormulaC9H9N3S
Molecular Weight191.26 g/mol
Exact Mass191.05
IUPAC Name3-azido-2-(cyclopenten-1-yl)thiophene
SMILES[N-]=[N+]=Nc1ccsc1C1=CCCC1
InChIInChI=1S/C9H9N3S/c10-12-11-8-5-6-13-9(8)7-3-1-2-4-7/h3,5-6H,1-2,4H2
InChIKeyZBMDYHYXMMGNKX-UHFFFAOYSA-N
XLogP4.26
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2,3-di(cyclopenten-1-yl)thiophene
CID 91052749
2-(3-azidothiophen-2-yl)-4,5-dimethyl-3,6-dihydro-2H-thiopyran
CID 11064883
1-(cyclopenten-1-yl)cyclooctene
CID 91463872
2-(cyclohexen-1-yl)thiophene;N-methylmethanamine
CID 142891098
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(cyclopenten-1-yl)thiophen-3-amine
CID 141000238
2-(cyclopenten-1-yl)benzenethiol
CID 21222530
1-(cyclodecen-1-yl)cyclodecene
CID 54296371
(1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene
CID 139760940
5,12-diazidotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
CID 10924242
5-azido-2,3-dihydro-1H-inden-4-amine
CID 141479420
1-azido-2-isocyanobenzene
CID 11275072
4-(cyclopenten-1-yl)-1,2-dimethoxybenzene
CID 71373642

Frequently Asked Questions

What is the IUPAC name of 3-azido-2-(cyclopenten-1-yl)thiophene?
The IUPAC name of 3-azido-2-(cyclopenten-1-yl)thiophene (CID 152620812) is 3-azido-2-(cyclopenten-1-yl)thiophene.
What is the SMILES notation for 3-azido-2-(cyclopenten-1-yl)thiophene?
The canonical SMILES for 3-azido-2-(cyclopenten-1-yl)thiophene is [N-]=[N+]=Nc1ccsc1C1=CCCC1.
What is the InChIKey of 3-azido-2-(cyclopenten-1-yl)thiophene?
The InChIKey is ZBMDYHYXMMGNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S/c10-12-11-8-5-6-13-9(8)7-3-1-2-4-7/h3,5-6H,1-2,4H2.
What are the key properties of 3-azido-2-(cyclopenten-1-yl)thiophene?
3-azido-2-(cyclopenten-1-yl)thiophene has a molecular weight of 191.26 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-2-(cyclopenten-1-yl)thiophene is sourced from PubChem (CID 152620812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).