(5E)-1,2-dimethyl-5-[(5-nitrothiophen-2-yl)methylidene]pyrrolidine

C11H14N2O2S — CID 11020957

IUPAC(5E)-1,2-dimethyl-5-[(5-nitrothiophen-2-yl)methylidene]pyrrolidine
SMILESCC1CC/C(=C\c2ccc([N+](=O)[O-])s2)N1C
InChIInChI=1S/C11H14N2O2S/c1-8-3-4-9(12(8)2)7-10-5-6-11(16-10)13(14)15/h5-8H,3-4H2,1-2H3/b9-7+
InChIKeyOJFHRKXAOLBTLQ-VQHVLOKHSA-N
MW238.31 g/mol
LogP3.11
Rot. Bonds2

About (5E)-1,2-dimethyl-5-[(5-nitrothiophen-2-yl)methylidene]pyrrolidine

(5E)-1,2-dimethyl-5-[(5-nitrothiophen-2-yl)methylidene]pyrrolidine (PubChem CID 11020957) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is (5E)-1,2-dimethyl-5-[(5-nitrothiophen-2-yl)methylidene]pyrrolidine.

Molecular Properties

Compound Name(5E)-1,2-dimethyl-5-[(5-nitrothiophen-2-yl)methylidene]pyrrolidine
PubChem CID11020957
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name(5E)-1,2-dimethyl-5-[(5-nitrothiophen-2-yl)methylidene]pyrrolidine
SMILESCC1CC/C(=C\c2ccc([N+](=O)[O-])s2)N1C
InChIInChI=1S/C11H14N2O2S/c1-8-3-4-9(12(8)2)7-10-5-6-11(16-10)13(14)15/h5-8H,3-4H2,1-2H3/b9-7+
InChIKeyOJFHRKXAOLBTLQ-VQHVLOKHSA-N
XLogP3.11
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(E)-3-(5-nitrothiophen-2-yl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 6011097
1-[(5-Nitro-2-thienyl)methyl]azepane
CID 763213
Bis(2-chloroethyl)-methyl-[(5-nitrothiophen-2-yl)methyl]azanium chloride
CID 11045880
1-Methyl-4-[(5-nitrothiophen-2-yl)methyl]-1,4-diazepane
CID 764264
N-ethyl-2-methyl-N-[(5-nitro-2-thienyl)methyl]-2-propen-1-amine
CID 677417
Cambridge id 5421362
CID 757325
(Z)-3-isopropyl-5-((5-nitrothiophen-2-yl)methylene)-2-thioxothiazolidin-4-one
CID 2140441
1-[(5-Nitro-2-thienyl)methyl]pyrrolidine
CID 2845949
Cambridge id 5429559
CID 2846065
1-[(E)-1-(5-nitrothiophen-2-yl)hex-1-en-2-yl]pyrrolidine
CID 11119493
1-Methyl-4-[(5-nitro-2-thienyl)methyl]piperazine
CID 677232
3-(5-Nitro-2-thiophenyl)-1-(1-pyrrolidinyl)-2-propen-1-one
CID 4105094

Frequently Asked Questions

What is the IUPAC name of (5E)-1,2-dimethyl-5-[(5-nitrothiophen-2-yl)methylidene]pyrrolidine?
The IUPAC name of (5E)-1,2-dimethyl-5-[(5-nitrothiophen-2-yl)methylidene]pyrrolidine (CID 11020957) is (5E)-1,2-dimethyl-5-[(5-nitrothiophen-2-yl)methylidene]pyrrolidine.
What is the SMILES notation for (5E)-1,2-dimethyl-5-[(5-nitrothiophen-2-yl)methylidene]pyrrolidine?
The canonical SMILES for (5E)-1,2-dimethyl-5-[(5-nitrothiophen-2-yl)methylidene]pyrrolidine is CC1CC/C(=C\c2ccc([N+](=O)[O-])s2)N1C.
What is the InChIKey of (5E)-1,2-dimethyl-5-[(5-nitrothiophen-2-yl)methylidene]pyrrolidine?
The InChIKey is OJFHRKXAOLBTLQ-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-8-3-4-9(12(8)2)7-10-5-6-11(16-10)13(14)15/h5-8H,3-4H2,1-2H3/b9-7+.
What are the key properties of (5E)-1,2-dimethyl-5-[(5-nitrothiophen-2-yl)methylidene]pyrrolidine?
(5E)-1,2-dimethyl-5-[(5-nitrothiophen-2-yl)methylidene]pyrrolidine has a molecular weight of 238.31 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1,2-dimethyl-5-[(5-nitrothiophen-2-yl)methylidene]pyrrolidine is sourced from PubChem (CID 11020957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).