(2Z)-2-(furan-2-ylmethylidene)cyclooctan-1-one

C13H16O2 — CID 177443971

IUPAC(2Z)-2-(furan-2-ylmethylidene)cyclooctan-1-one
SMILESO=C1CCCCCC/C1=C/c1ccco1
InChIInChI=1S/C13H16O2/c14-13-8-4-2-1-3-6-11(13)10-12-7-5-9-15-12/h5,7,9-10H,1-4,6,8H2/b11-10-
InChIKeyRQXCJBSUMKSUKU-KHPPLWFESA-N
MW204.27 g/mol
LogP3.59
Rot. Bonds1

About (2Z)-2-(furan-2-ylmethylidene)cyclooctan-1-one

(2Z)-2-(furan-2-ylmethylidene)cyclooctan-1-one (PubChem CID 177443971) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2Z)-2-(furan-2-ylmethylidene)cyclooctan-1-one.

Molecular Properties

Compound Name(2Z)-2-(furan-2-ylmethylidene)cyclooctan-1-one
PubChem CID177443971
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(2Z)-2-(furan-2-ylmethylidene)cyclooctan-1-one
SMILESO=C1CCCCCC/C1=C/c1ccco1
InChIInChI=1S/C13H16O2/c14-13-8-4-2-1-3-6-11(13)10-12-7-5-9-15-12/h5,7,9-10H,1-4,6,8H2/b11-10-
InChIKeyRQXCJBSUMKSUKU-KHPPLWFESA-N
XLogP3.59
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(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
3,5-bis(furan-2-ylmethylidene)-1-methylpiperidin-4-one
CID 717827
(5Z)-2-(1,3-dithiolan-2-ylidene)-5-(furan-2-ylmethylidene)cyclopentan-1-one
CID 821633
(5Z)-5-(furan-2-ylmethylidene)-1,3-dimethyl-1,3-diazinane-2,4-dione
CID 177456796
(7E)-7-(furan-2-ylmethylidene)-4-methyl-2-azaspiro[4.5]decane-1,6-dione
CID 101108134
(2E)-2-[(3-fluorophenyl)methylidene]cycloheptan-1-one
CID 5469550
(5Z)-5-(furan-2-ylmethylidene)-2-piperidin-1-yl-1,3-thiazol-4-one
CID 2055469
(2E)-2-[(2-cyclohexylphenyl)methylidene]cyclohexan-1-one
CID 68643049
(2Z)-2-[(4-chlorophenyl)methylidene]cyclohexan-1-one
CID 6450877
2-[(4-fluorophenyl)methylidene]cyclohexan-1-one
CID 54228214

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(furan-2-ylmethylidene)cyclooctan-1-one?
The IUPAC name of (2Z)-2-(furan-2-ylmethylidene)cyclooctan-1-one (CID 177443971) is (2Z)-2-(furan-2-ylmethylidene)cyclooctan-1-one.
What is the SMILES notation for (2Z)-2-(furan-2-ylmethylidene)cyclooctan-1-one?
The canonical SMILES for (2Z)-2-(furan-2-ylmethylidene)cyclooctan-1-one is O=C1CCCCCC/C1=C/c1ccco1.
What is the InChIKey of (2Z)-2-(furan-2-ylmethylidene)cyclooctan-1-one?
The InChIKey is RQXCJBSUMKSUKU-KHPPLWFESA-N. The full InChI is InChI=1S/C13H16O2/c14-13-8-4-2-1-3-6-11(13)10-12-7-5-9-15-12/h5,7,9-10H,1-4,6,8H2/b11-10-.
What are the key properties of (2Z)-2-(furan-2-ylmethylidene)cyclooctan-1-one?
(2Z)-2-(furan-2-ylmethylidene)cyclooctan-1-one has a molecular weight of 204.27 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(furan-2-ylmethylidene)cyclooctan-1-one is sourced from PubChem (CID 177443971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).