2-(2-methyl-3-nitrosopent-1-enyl)thiophene

C10H13NOS — CID 91061502

IUPAC2-(2-methyl-3-nitrosopent-1-enyl)thiophene
SMILESCCC(N=O)C(C)=Cc1cccs1
InChIInChI=1S/C10H13NOS/c1-3-10(11-12)8(2)7-9-5-4-6-13-9/h4-7,10H,3H2,1-2H3
InChIKeyKWDFITPUCBENQZ-UHFFFAOYSA-N
MW195.29 g/mol
LogP3.70
Rot. Bonds4

About 2-(2-methyl-3-nitrosopent-1-enyl)thiophene

2-(2-methyl-3-nitrosopent-1-enyl)thiophene (PubChem CID 91061502) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-(2-methyl-3-nitrosopent-1-enyl)thiophene.

Molecular Properties

Compound Name2-(2-methyl-3-nitrosopent-1-enyl)thiophene
PubChem CID91061502
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name2-(2-methyl-3-nitrosopent-1-enyl)thiophene
SMILESCCC(N=O)C(C)=Cc1cccs1
InChIInChI=1S/C10H13NOS/c1-3-10(11-12)8(2)7-9-5-4-6-13-9/h4-7,10H,3H2,1-2H3
InChIKeyKWDFITPUCBENQZ-UHFFFAOYSA-N
XLogP3.70
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methyl-3-nitrosopent-1-enyl)pyridine
CID 91213357
2-(3-nitrosopent-1-enyl)thiophene
CID 90774527
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CID 79001686
N-ethyl-2-methyl-3-thiophen-2-ylprop-2-en-1-amine
CID 79341006
(3E)-3-(thiophen-2-ylmethylidene)octan-2-one
CID 25062085
(E)-N,N,2-trimethyl-3-thiophen-2-ylprop-2-enamide
CID 14383806
(E)-2-chloro-3-thiophen-2-ylprop-2-enoic acid
CID 88503797
(2E)-3-methyl-2-(thiophen-2-ylmethylidene)but-3-enal
CID 10749828
methyl 2-methyl-3-thiophen-2-ylprop-2-enoate
CID 57285992
2-[(E)-2-isocyanobut-1-enyl]thiophene
CID 176776853
2-(thiophen-2-ylmethylidene)propanedioic acid
CID 4714957
2-[(Z)-2-chloro-2-[(S)-methylsulfinyl]ethenyl]thiophene
CID 124725146

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-nitrosopent-1-enyl)thiophene?
The IUPAC name of 2-(2-methyl-3-nitrosopent-1-enyl)thiophene (CID 91061502) is 2-(2-methyl-3-nitrosopent-1-enyl)thiophene.
What is the SMILES notation for 2-(2-methyl-3-nitrosopent-1-enyl)thiophene?
The canonical SMILES for 2-(2-methyl-3-nitrosopent-1-enyl)thiophene is CCC(N=O)C(C)=Cc1cccs1.
What is the InChIKey of 2-(2-methyl-3-nitrosopent-1-enyl)thiophene?
The InChIKey is KWDFITPUCBENQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-3-10(11-12)8(2)7-9-5-4-6-13-9/h4-7,10H,3H2,1-2H3.
What are the key properties of 2-(2-methyl-3-nitrosopent-1-enyl)thiophene?
2-(2-methyl-3-nitrosopent-1-enyl)thiophene has a molecular weight of 195.29 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-nitrosopent-1-enyl)thiophene is sourced from PubChem (CID 91061502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).