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

C15H26ClNO — CID 5467293

IUPAC(2E)-2-pentylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride
SMILESCCCC/C=C1\CCC(CN2CCCC2)C1=O.Cl
InChIInChI=1S/C15H25NO.ClH/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;1H/b13-7+;
InChIKeyMTOKHCQJMXUPBH-FTPOTTDRSA-N
MW271.83 g/mol
LogP3.60
Rot. Bonds5

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

(2E)-2-pentylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride (PubChem CID 5467293) has the molecular formula C15H26ClNO and a molecular weight of 271.83 g/mol. Its IUPAC name is (2E)-2-pentylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride.

Molecular Properties

Compound Name(2E)-2-pentylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride
PubChem CID5467293
Molecular FormulaC15H26ClNO
Molecular Weight271.83 g/mol
Exact Mass271.17
IUPAC Name(2E)-2-pentylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride
SMILESCCCC/C=C1\CCC(CN2CCCC2)C1=O.Cl
InChIInChI=1S/C15H25NO.ClH/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;1H/b13-7+;
InChIKeyMTOKHCQJMXUPBH-FTPOTTDRSA-N
XLogP3.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.83
LogP ≤ 53.60
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;hydrochloride?
The IUPAC name of (2E)-2-pentylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride (CID 5467293) is (2E)-2-pentylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride.
What is the SMILES notation for (2E)-2-pentylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride?
The canonical SMILES for (2E)-2-pentylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride is CCCC/C=C1\CCC(CN2CCCC2)C1=O.Cl.
What is the InChIKey of (2E)-2-pentylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride?
The InChIKey is MTOKHCQJMXUPBH-FTPOTTDRSA-N. The full InChI is InChI=1S/C15H25NO.ClH/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;1H/b13-7+;.
What are the key properties of (2E)-2-pentylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride?
(2E)-2-pentylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride has a molecular weight of 271.83 g/mol, XLogP of 3.60, 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;hydrochloride is sourced from PubChem (CID 5467293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).