2-(cyclopentylidenemethyl)-5-nitrothiophene

C10H11NO2S — CID 10035999

IUPAC2-(cyclopentylidenemethyl)-5-nitrothiophene
SMILESO=[N+]([O-])c1ccc(C=C2CCCC2)s1
InChIInChI=1S/C10H11NO2S/c12-11(13)10-6-5-9(14-10)7-8-3-1-2-4-8/h5-7H,1-4H2
InChIKeyHCDFOMSFZXJRTB-UHFFFAOYSA-N
MW209.27 g/mol
LogP3.61
Rot. Bonds2

About 2-(cyclopentylidenemethyl)-5-nitrothiophene

2-(cyclopentylidenemethyl)-5-nitrothiophene (PubChem CID 10035999) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-(cyclopentylidenemethyl)-5-nitrothiophene.

Molecular Properties

Compound Name2-(cyclopentylidenemethyl)-5-nitrothiophene
PubChem CID10035999
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name2-(cyclopentylidenemethyl)-5-nitrothiophene
SMILESO=[N+]([O-])c1ccc(C=C2CCCC2)s1
InChIInChI=1S/C10H11NO2S/c12-11(13)10-6-5-9(14-10)7-8-3-1-2-4-8/h5-7H,1-4H2
InChIKeyHCDFOMSFZXJRTB-UHFFFAOYSA-N
XLogP3.61
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-Nitrothiophene-2-carbonitrile
CID 519294
2-[(5-Nitrothiophen-2-yl)methylidene]propanedinitrile
CID 301433
(E)-2-cyano-3-(5-nitrothiophen-2-yl)prop-2-enethioamide
CID 6017075
2-Methyl-5-nitrothiophene
CID 13949280
2-(Bromomethyl)-5-nitrothiophene
CID 53685156
2-(Chloromethyl)-5-nitrothiophene
CID 12583137
2-(2,2-Dichlorovinyl)-5-nitrothiophene
CID 1086326
N-ethyl-2-methyl-N-[(5-nitro-2-thienyl)methyl]-2-propen-1-amine
CID 677417
5-Nitrothiophene-2-carbothioamide
CID 2726417
1-[(5-Nitro-2-thienyl)methyl]pyrrolidine
CID 2845949
2-Nitro-5-phenylthiophene
CID 1211758
Thiophene, 2-(1,1-dimethylethyl)-5-nitro-
CID 12231491

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylidenemethyl)-5-nitrothiophene?
The IUPAC name of 2-(cyclopentylidenemethyl)-5-nitrothiophene (CID 10035999) is 2-(cyclopentylidenemethyl)-5-nitrothiophene.
What is the SMILES notation for 2-(cyclopentylidenemethyl)-5-nitrothiophene?
The canonical SMILES for 2-(cyclopentylidenemethyl)-5-nitrothiophene is O=[N+]([O-])c1ccc(C=C2CCCC2)s1.
What is the InChIKey of 2-(cyclopentylidenemethyl)-5-nitrothiophene?
The InChIKey is HCDFOMSFZXJRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c12-11(13)10-6-5-9(14-10)7-8-3-1-2-4-8/h5-7H,1-4H2.
What are the key properties of 2-(cyclopentylidenemethyl)-5-nitrothiophene?
2-(cyclopentylidenemethyl)-5-nitrothiophene has a molecular weight of 209.27 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylidenemethyl)-5-nitrothiophene is sourced from PubChem (CID 10035999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).