(6R)-3-thiophen-2-yl-2-azabicyclo[4.1.0]hepta-2,4-diene

C10H9NS — CID 70330479

IUPAC(6R)-3-thiophen-2-yl-2-azabicyclo[4.1.0]hepta-2,4-diene
SMILESC1=C[C@H]2CC2N=C1c1cccs1
InChIInChI=1S/C10H9NS/c1-2-10(12-5-1)8-4-3-7-6-9(7)11-8/h1-5,7,9H,6H2/t7-,9?/m0/s1
InChIKeyYPUDILBAHWXBLQ-JAVCKPHESA-N
MW175.26 g/mol
LogP2.50
Rot. Bonds1

About (6R)-3-thiophen-2-yl-2-azabicyclo[4.1.0]hepta-2,4-diene

(6R)-3-thiophen-2-yl-2-azabicyclo[4.1.0]hepta-2,4-diene (PubChem CID 70330479) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is (6R)-3-thiophen-2-yl-2-azabicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name(6R)-3-thiophen-2-yl-2-azabicyclo[4.1.0]hepta-2,4-diene
PubChem CID70330479
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name(6R)-3-thiophen-2-yl-2-azabicyclo[4.1.0]hepta-2,4-diene
SMILESC1=C[C@H]2CC2N=C1c1cccs1
InChIInChI=1S/C10H9NS/c1-2-10(12-5-1)8-4-3-7-6-9(7)11-8/h1-5,7,9H,6H2/t7-,9?/m0/s1
InChIKeyYPUDILBAHWXBLQ-JAVCKPHESA-N
XLogP2.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-6-methyl-2-thiophen-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole
CID 177401482
(3aR,6aR)-2,5-dithiophen-2-yl-3a,6a-dihydro-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 100816758
3-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutan-1-amine
CID 116965488
6-thiophen-2-yl-2,3-dihydroimidazo[1,2-b]pyridazine
CID 12790839
2-(3-methylcyclopenta-1,4-dien-1-yl)thiophene
CID 87139426
thiophene;2-thiophen-2-ylthiophene
CID 158809122
2-thiophen-2-ylthiophene;triazine
CID 175444863
1,3-dithiophen-2-yl-3a,7a-dihydro-2-benzothiophene
CID 100936208
3,4-diphenyl-2-thiophen-2-ylthiophene
CID 90930484
2-thiophen-2-yl-4H-1,3-oxazol-5-one
CID 20771821
5-methyl-2-thiophen-2-yl-7aH-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118988013
2-[3-(3,5-dithiophen-2-ylphenyl)-5-thiophen-2-ylphenyl]thiophene
CID 25194793

Frequently Asked Questions

What is the IUPAC name of (6R)-3-thiophen-2-yl-2-azabicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of (6R)-3-thiophen-2-yl-2-azabicyclo[4.1.0]hepta-2,4-diene (CID 70330479) is (6R)-3-thiophen-2-yl-2-azabicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for (6R)-3-thiophen-2-yl-2-azabicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for (6R)-3-thiophen-2-yl-2-azabicyclo[4.1.0]hepta-2,4-diene is C1=C[C@H]2CC2N=C1c1cccs1.
What is the InChIKey of (6R)-3-thiophen-2-yl-2-azabicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is YPUDILBAHWXBLQ-JAVCKPHESA-N. The full InChI is InChI=1S/C10H9NS/c1-2-10(12-5-1)8-4-3-7-6-9(7)11-8/h1-5,7,9H,6H2/t7-,9?/m0/s1.
What are the key properties of (6R)-3-thiophen-2-yl-2-azabicyclo[4.1.0]hepta-2,4-diene?
(6R)-3-thiophen-2-yl-2-azabicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 175.26 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-thiophen-2-yl-2-azabicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 70330479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).