(2E)-2-(1-chlorononylidene)cyclopentan-1-one

C14H23ClO — CID 101421070

IUPAC(2E)-2-(1-chlorononylidene)cyclopentan-1-one
SMILESCCCCCCCC/C(Cl)=C1/CCCC1=O
InChIInChI=1S/C14H23ClO/c1-2-3-4-5-6-7-10-13(15)12-9-8-11-14(12)16/h2-11H2,1H3/b13-12+
InChIKeyPXWXKYLCZGXYKB-OUKQBFOZSA-N
MW242.79 g/mol
LogP4.98
Rot. Bonds7

About (2E)-2-(1-chlorononylidene)cyclopentan-1-one

(2E)-2-(1-chlorononylidene)cyclopentan-1-one (PubChem CID 101421070) has the molecular formula C14H23ClO and a molecular weight of 242.79 g/mol. Its IUPAC name is (2E)-2-(1-chlorononylidene)cyclopentan-1-one.

Molecular Properties

Compound Name(2E)-2-(1-chlorononylidene)cyclopentan-1-one
PubChem CID101421070
Molecular FormulaC14H23ClO
Molecular Weight242.79 g/mol
Exact Mass242.14
IUPAC Name(2E)-2-(1-chlorononylidene)cyclopentan-1-one
SMILESCCCCCCCC/C(Cl)=C1/CCCC1=O
InChIInChI=1S/C14H23ClO/c1-2-3-4-5-6-7-10-13(15)12-9-8-11-14(12)16/h2-11H2,1H3/b13-12+
InChIKeyPXWXKYLCZGXYKB-OUKQBFOZSA-N
XLogP4.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.79
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(1-chlorononylidene)cyclopentan-1-one?
The IUPAC name of (2E)-2-(1-chlorononylidene)cyclopentan-1-one (CID 101421070) is (2E)-2-(1-chlorononylidene)cyclopentan-1-one.
What is the SMILES notation for (2E)-2-(1-chlorononylidene)cyclopentan-1-one?
The canonical SMILES for (2E)-2-(1-chlorononylidene)cyclopentan-1-one is CCCCCCCC/C(Cl)=C1/CCCC1=O.
What is the InChIKey of (2E)-2-(1-chlorononylidene)cyclopentan-1-one?
The InChIKey is PXWXKYLCZGXYKB-OUKQBFOZSA-N. The full InChI is InChI=1S/C14H23ClO/c1-2-3-4-5-6-7-10-13(15)12-9-8-11-14(12)16/h2-11H2,1H3/b13-12+.
What are the key properties of (2E)-2-(1-chlorononylidene)cyclopentan-1-one?
(2E)-2-(1-chlorononylidene)cyclopentan-1-one has a molecular weight of 242.79 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1-chlorononylidene)cyclopentan-1-one is sourced from PubChem (CID 101421070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).