(5Z)-2-(1,3-dithiolan-2-ylidene)-5-(furan-2-ylmethylidene)cyclopentan-1-one

C13H12O2S2 — CID 821633

IUPAC(5Z)-2-(1,3-dithiolan-2-ylidene)-5-(furan-2-ylmethylidene)cyclopentan-1-one
SMILESO=C1C(=C2SCCS2)CC/C1=C/c1ccco1
InChIInChI=1S/C13H12O2S2/c14-12-9(8-10-2-1-5-15-10)3-4-11(12)13-16-6-7-17-13/h1-2,5,8H,3-4,6-7H2/b9-8-
InChIKeyOPFICVSKLZYRML-HJWRWDBZSA-N
MW264.37 g/mol
LogP3.72
Rot. Bonds1

About (5Z)-2-(1,3-dithiolan-2-ylidene)-5-(furan-2-ylmethylidene)cyclopentan-1-one

(5Z)-2-(1,3-dithiolan-2-ylidene)-5-(furan-2-ylmethylidene)cyclopentan-1-one (PubChem CID 821633) has the molecular formula C13H12O2S2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (5Z)-2-(1,3-dithiolan-2-ylidene)-5-(furan-2-ylmethylidene)cyclopentan-1-one.

Molecular Properties

Compound Name(5Z)-2-(1,3-dithiolan-2-ylidene)-5-(furan-2-ylmethylidene)cyclopentan-1-one
PubChem CID821633
Molecular FormulaC13H12O2S2
Molecular Weight264.37 g/mol
Exact Mass264.03
IUPAC Name(5Z)-2-(1,3-dithiolan-2-ylidene)-5-(furan-2-ylmethylidene)cyclopentan-1-one
SMILESO=C1C(=C2SCCS2)CC/C1=C/c1ccco1
InChIInChI=1S/C13H12O2S2/c14-12-9(8-10-2-1-5-15-10)3-4-11(12)13-16-6-7-17-13/h1-2,5,8H,3-4,6-7H2/b9-8-
InChIKeyOPFICVSKLZYRML-HJWRWDBZSA-N
XLogP3.72
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-(furan-2-ylmethylidene)cyclooctan-1-one
CID 177443971
6-fluoro-3-(furan-2-ylmethylidene)thiochromen-4-one
CID 141253898
3,5-bis(furan-2-ylmethylidene)-1-methylpiperidin-4-one
CID 717827
5-amino-2-(furan-2-ylmethylidene)-3H-inden-1-one
CID 2877934
2-(furan-2-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one
CID 67619456
(1S,3Z,5S,7E)-3,7-bis(furan-2-ylmethylidene)bicyclo[3.3.1]nonane-2,6-dione
CID 2261789
(1R,3Z,5R)-3,7-bis(furan-2-ylmethylidene)bicyclo[3.3.1]nonane-2,6-dione
CID 933207
(3Z,7Z)-3,7-bis(furan-2-ylmethylidene)bicyclo[3.3.1]nonane-2,6-dione
CID 5342343
2-cinnamylidene-5-(1,3-dithian-2-ylidene)cyclopentan-1-one
CID 78146457
3-(furan-2-ylmethylidene)-1,2-dihydrobenzo[a]phenanthridin-4-one
CID 751766
(3E)-1-benzyl-3,5-bis(furan-2-ylmethylidene)piperidin-4-one
CID 6938019
(5Z)-5-(furan-2-ylmethylidene)-1,3-dimethyl-1,3-diazinane-2,4-dione
CID 177456796

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(1,3-dithiolan-2-ylidene)-5-(furan-2-ylmethylidene)cyclopentan-1-one?
The IUPAC name of (5Z)-2-(1,3-dithiolan-2-ylidene)-5-(furan-2-ylmethylidene)cyclopentan-1-one (CID 821633) is (5Z)-2-(1,3-dithiolan-2-ylidene)-5-(furan-2-ylmethylidene)cyclopentan-1-one.
What is the SMILES notation for (5Z)-2-(1,3-dithiolan-2-ylidene)-5-(furan-2-ylmethylidene)cyclopentan-1-one?
The canonical SMILES for (5Z)-2-(1,3-dithiolan-2-ylidene)-5-(furan-2-ylmethylidene)cyclopentan-1-one is O=C1C(=C2SCCS2)CC/C1=C/c1ccco1.
What is the InChIKey of (5Z)-2-(1,3-dithiolan-2-ylidene)-5-(furan-2-ylmethylidene)cyclopentan-1-one?
The InChIKey is OPFICVSKLZYRML-HJWRWDBZSA-N. The full InChI is InChI=1S/C13H12O2S2/c14-12-9(8-10-2-1-5-15-10)3-4-11(12)13-16-6-7-17-13/h1-2,5,8H,3-4,6-7H2/b9-8-.
What are the key properties of (5Z)-2-(1,3-dithiolan-2-ylidene)-5-(furan-2-ylmethylidene)cyclopentan-1-one?
(5Z)-2-(1,3-dithiolan-2-ylidene)-5-(furan-2-ylmethylidene)cyclopentan-1-one has a molecular weight of 264.37 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(1,3-dithiolan-2-ylidene)-5-(furan-2-ylmethylidene)cyclopentan-1-one is sourced from PubChem (CID 821633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).