(5R)-4-thiophen-2-ylspiro[4.4]non-3-en-9-one

C13H14OS — CID 15438006

IUPAC(5R)-4-thiophen-2-ylspiro[4.4]non-3-en-9-one
SMILESO=C1CCC[C@]12CCC=C2c1cccs1
InChIInChI=1S/C13H14OS/c14-12-6-2-8-13(12)7-1-4-10(13)11-5-3-9-15-11/h3-5,9H,1-2,6-8H2/t13-/m0/s1
InChIKeyOFKQZTHYCNGVHV-ZDUSSCGKSA-N
MW218.32 g/mol
LogP3.66
Rot. Bonds1

About (5R)-4-thiophen-2-ylspiro[4.4]non-3-en-9-one

(5R)-4-thiophen-2-ylspiro[4.4]non-3-en-9-one (PubChem CID 15438006) has the molecular formula C13H14OS and a molecular weight of 218.32 g/mol. Its IUPAC name is (5R)-4-thiophen-2-ylspiro[4.4]non-3-en-9-one.

Molecular Properties

Compound Name(5R)-4-thiophen-2-ylspiro[4.4]non-3-en-9-one
PubChem CID15438006
Molecular FormulaC13H14OS
Molecular Weight218.32 g/mol
Exact Mass218.08
IUPAC Name(5R)-4-thiophen-2-ylspiro[4.4]non-3-en-9-one
SMILESO=C1CCC[C@]12CCC=C2c1cccs1
InChIInChI=1S/C13H14OS/c14-12-6-2-8-13(12)7-1-4-10(13)11-5-3-9-15-11/h3-5,9H,1-2,6-8H2/t13-/m0/s1
InChIKeyOFKQZTHYCNGVHV-ZDUSSCGKSA-N
XLogP3.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(Thiophen-3-yl)cyclohex-2-enone
CID 10866911
4H,5H,6H-cyclopenta(b)thiophen-5-one
CID 10953588
5,5-Dimethyl-3-thiophen-2-ylcyclohex-2-en-1-one
CID 24747167
3-(Thiophen-2-yl)cyclohex-2-enone
CID 14789268
Cyclopentyl-2-thienylmethanone
CID 10219686
4,5,6,7-Tetrahydro-1-benzothiophen-6-one
CID 14248471
4H,5H,6H,7H,8H-cyclohepta[b]thiophen-5-one
CID 59738009
3-Methyl-2-(2-oxopropyl)thiophene
CID 6428814
4-(3-Methylthiophen-2-yl)butan-2-one
CID 11041114
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CID 12330410

Frequently Asked Questions

What is the IUPAC name of (5R)-4-thiophen-2-ylspiro[4.4]non-3-en-9-one?
The IUPAC name of (5R)-4-thiophen-2-ylspiro[4.4]non-3-en-9-one (CID 15438006) is (5R)-4-thiophen-2-ylspiro[4.4]non-3-en-9-one.
What is the SMILES notation for (5R)-4-thiophen-2-ylspiro[4.4]non-3-en-9-one?
The canonical SMILES for (5R)-4-thiophen-2-ylspiro[4.4]non-3-en-9-one is O=C1CCC[C@]12CCC=C2c1cccs1.
What is the InChIKey of (5R)-4-thiophen-2-ylspiro[4.4]non-3-en-9-one?
The InChIKey is OFKQZTHYCNGVHV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H14OS/c14-12-6-2-8-13(12)7-1-4-10(13)11-5-3-9-15-11/h3-5,9H,1-2,6-8H2/t13-/m0/s1.
What are the key properties of (5R)-4-thiophen-2-ylspiro[4.4]non-3-en-9-one?
(5R)-4-thiophen-2-ylspiro[4.4]non-3-en-9-one has a molecular weight of 218.32 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-thiophen-2-ylspiro[4.4]non-3-en-9-one is sourced from PubChem (CID 15438006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).