(5E)-2-chloro-5-[(Z)-oct-5-enylidene]cyclopentan-1-one

C13H19ClO — CID 130467641

IUPAC(5E)-2-chloro-5-[(Z)-oct-5-enylidene]cyclopentan-1-one
SMILESCC/C=C\CCC/C=C1\CCC(Cl)C1=O
InChIInChI=1S/C13H19ClO/c1-2-3-4-5-6-7-8-11-9-10-12(14)13(11)15/h3-4,8,12H,2,5-7,9-10H2,1H3/b4-3-,11-8+
InChIKeyWNQZWFHRJDFHOU-PRTWDDKSSA-N
MW226.75 g/mol
LogP4.02
Rot. Bonds5

About (5E)-2-chloro-5-[(Z)-oct-5-enylidene]cyclopentan-1-one

(5E)-2-chloro-5-[(Z)-oct-5-enylidene]cyclopentan-1-one (PubChem CID 130467641) has the molecular formula C13H19ClO and a molecular weight of 226.75 g/mol. Its IUPAC name is (5E)-2-chloro-5-[(Z)-oct-5-enylidene]cyclopentan-1-one.

Molecular Properties

Compound Name(5E)-2-chloro-5-[(Z)-oct-5-enylidene]cyclopentan-1-one
PubChem CID130467641
Molecular FormulaC13H19ClO
Molecular Weight226.75 g/mol
Exact Mass226.11
IUPAC Name(5E)-2-chloro-5-[(Z)-oct-5-enylidene]cyclopentan-1-one
SMILESCC/C=C\CCC/C=C1\CCC(Cl)C1=O
InChIInChI=1S/C13H19ClO/c1-2-3-4-5-6-7-8-11-9-10-12(14)13(11)15/h3-4,8,12H,2,5-7,9-10H2,1H3/b4-3-,11-8+
InChIKeyWNQZWFHRJDFHOU-PRTWDDKSSA-N
XLogP4.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5E)-2-fluoro-5-[(Z)-oct-5-enylidene]cyclopent-2-en-1-one
CID 145374162
6-[(E)-hept-4-enyl]oxan-2-one
CID 71587972
(5E)-2-[(dimethylamino)methyl]-5-hexylidenecyclopentan-1-one
CID 5467295
(2Z)-2-butylidene-5-pentylcyclopentan-1-one
CID 22937401
(2E)-2-pentylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one
CID 5467294
5-[(Z)-dec-7-enyl]oxolan-2-one
CID 53238344
(3E,16E)-nonadeca-3,16-diene
CID 157471321
2-[(E)-pent-2-enyl]cyclopentane-1,3-dione
CID 131235399
(2E)-2-butylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride
CID 5467289
methyl (Z)-hept-5-enoate;(5E)-5-[(Z)-oct-5-enylidene]cyclopent-2-en-1-one
CID 144818111
(2Z,7Z)-deca-2,7-diene
CID 6429619
(Z)-7-chlorohept-3-ene
CID 12513367

Frequently Asked Questions

What is the IUPAC name of (5E)-2-chloro-5-[(Z)-oct-5-enylidene]cyclopentan-1-one?
The IUPAC name of (5E)-2-chloro-5-[(Z)-oct-5-enylidene]cyclopentan-1-one (CID 130467641) is (5E)-2-chloro-5-[(Z)-oct-5-enylidene]cyclopentan-1-one.
What is the SMILES notation for (5E)-2-chloro-5-[(Z)-oct-5-enylidene]cyclopentan-1-one?
The canonical SMILES for (5E)-2-chloro-5-[(Z)-oct-5-enylidene]cyclopentan-1-one is CC/C=C\CCC/C=C1\CCC(Cl)C1=O.
What is the InChIKey of (5E)-2-chloro-5-[(Z)-oct-5-enylidene]cyclopentan-1-one?
The InChIKey is WNQZWFHRJDFHOU-PRTWDDKSSA-N. The full InChI is InChI=1S/C13H19ClO/c1-2-3-4-5-6-7-8-11-9-10-12(14)13(11)15/h3-4,8,12H,2,5-7,9-10H2,1H3/b4-3-,11-8+.
What are the key properties of (5E)-2-chloro-5-[(Z)-oct-5-enylidene]cyclopentan-1-one?
(5E)-2-chloro-5-[(Z)-oct-5-enylidene]cyclopentan-1-one has a molecular weight of 226.75 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-chloro-5-[(Z)-oct-5-enylidene]cyclopentan-1-one is sourced from PubChem (CID 130467641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).