(2E)-2-pentylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one

C15H25NO — CID 5467294

IUPAC(2E)-2-pentylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one
SMILESCCCC/C=C1\CCC(CN2CCCC2)C1=O
InChIInChI=1S/C15H25NO/c1-2-3-4-7-13-8-9-14(15(13)17)12-16-10-5-6-11-16/h7,14H,2-6,8-12H2,1H3/b13-7+
InChIKeyPYEMAMVAEKFODM-NTUHNPAUSA-N
MW235.37 g/mol
LogP3.18
Rot. Bonds5

About (2E)-2-pentylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one

(2E)-2-pentylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one (PubChem CID 5467294) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (2E)-2-pentylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one.

Molecular Properties

Compound Name(2E)-2-pentylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one
PubChem CID5467294
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(2E)-2-pentylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one
SMILESCCCC/C=C1\CCC(CN2CCCC2)C1=O
InChIInChI=1S/C15H25NO/c1-2-3-4-7-13-8-9-14(15(13)17)12-16-10-5-6-11-16/h7,14H,2-6,8-12H2,1H3/b13-7+
InChIKeyPYEMAMVAEKFODM-NTUHNPAUSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-pentylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one?
The IUPAC name of (2E)-2-pentylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one (CID 5467294) is (2E)-2-pentylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one.
What is the SMILES notation for (2E)-2-pentylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one?
The canonical SMILES for (2E)-2-pentylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one is CCCC/C=C1\CCC(CN2CCCC2)C1=O.
What is the InChIKey of (2E)-2-pentylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one?
The InChIKey is PYEMAMVAEKFODM-NTUHNPAUSA-N. The full InChI is InChI=1S/C15H25NO/c1-2-3-4-7-13-8-9-14(15(13)17)12-16-10-5-6-11-16/h7,14H,2-6,8-12H2,1H3/b13-7+.
What are the key properties of (2E)-2-pentylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one?
(2E)-2-pentylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one has a molecular weight of 235.37 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-pentylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one is sourced from PubChem (CID 5467294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).