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

C9H11NOS — CID 90774527

IUPAC2-(3-nitrosopent-1-enyl)thiophene
SMILESCCC(C=Cc1cccs1)N=O
InChIInChI=1S/C9H11NOS/c1-2-8(10-11)5-6-9-4-3-7-12-9/h3-8H,2H2,1H3
InChIKeyGSMNTLBDQSXPMI-UHFFFAOYSA-N
MW181.26 g/mol
LogP3.31
Rot. Bonds4

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

2-(3-nitrosopent-1-enyl)thiophene (PubChem CID 90774527) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 2-(3-nitrosopent-1-enyl)thiophene.

Molecular Properties

Compound Name2-(3-nitrosopent-1-enyl)thiophene
PubChem CID90774527
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name2-(3-nitrosopent-1-enyl)thiophene
SMILESCCC(C=Cc1cccs1)N=O
InChIInChI=1S/C9H11NOS/c1-2-8(10-11)5-6-9-4-3-7-12-9/h3-8H,2H2,1H3
InChIKeyGSMNTLBDQSXPMI-UHFFFAOYSA-N
XLogP3.31
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-nitrosopent-1-enyl)pyridine
CID 91292733
2-(2-methyl-3-nitrosopent-1-enyl)thiophene
CID 91061502
2-[(E)-3-thiophen-2-ylbut-1-enyl]thiophene
CID 134862779
2-[(1Z,4Z)-hepta-1,4-dienyl]thiophene
CID 156698517
(NZ)-N-[(E)-1-thiophen-2-ylpent-1-en-3-ylidene]hydroxylamine
CID 87646999
(E)-2-thiophen-2-ylethenol
CID 89297537
N-propyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanamide
CID 18776403
2-[2-(2-thiophen-2-ylethenylsulfonyl)ethenyl]thiophene
CID 141485128
trimethyl(2-thiophen-2-ylethenoxy)silane
CID 72819542
(Z)-N,N-dimethyl-3-thiophen-2-ylprop-2-en-1-amine
CID 5452261
3-ethyl-1-methyl-4-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium iodide
CID 134117174
(E)-N-(ethylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide
CID 6235093

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrosopent-1-enyl)thiophene?
The IUPAC name of 2-(3-nitrosopent-1-enyl)thiophene (CID 90774527) is 2-(3-nitrosopent-1-enyl)thiophene.
What is the SMILES notation for 2-(3-nitrosopent-1-enyl)thiophene?
The canonical SMILES for 2-(3-nitrosopent-1-enyl)thiophene is CCC(C=Cc1cccs1)N=O.
What is the InChIKey of 2-(3-nitrosopent-1-enyl)thiophene?
The InChIKey is GSMNTLBDQSXPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-2-8(10-11)5-6-9-4-3-7-12-9/h3-8H,2H2,1H3.
What are the key properties of 2-(3-nitrosopent-1-enyl)thiophene?
2-(3-nitrosopent-1-enyl)thiophene has a molecular weight of 181.26 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrosopent-1-enyl)thiophene is sourced from PubChem (CID 90774527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).