4-(5-chloropent-2-ynyl)morpholine;hydrochloride

C9H15Cl2NO — CID 18703559

IUPAC4-(5-chloropent-2-ynyl)morpholine;hydrochloride
SMILESCl.ClCCC#CCN1CCOCC1
InChIInChI=1S/C9H14ClNO.ClH/c10-4-2-1-3-5-11-6-8-12-9-7-11;/h2,4-9H2;1H
InChIKeyPPKDGBFPQAFTHT-UHFFFAOYSA-N
MW224.13 g/mol
LogP1.37
Rot. Bonds2

About 4-(5-chloropent-2-ynyl)morpholine;hydrochloride

4-(5-chloropent-2-ynyl)morpholine;hydrochloride (PubChem CID 18703559) has the molecular formula C9H15Cl2NO and a molecular weight of 224.13 g/mol. Its IUPAC name is 4-(5-chloropent-2-ynyl)morpholine;hydrochloride.

Molecular Properties

Compound Name4-(5-chloropent-2-ynyl)morpholine;hydrochloride
PubChem CID18703559
Molecular FormulaC9H15Cl2NO
Molecular Weight224.13 g/mol
Exact Mass223.05
IUPAC Name4-(5-chloropent-2-ynyl)morpholine;hydrochloride
SMILESCl.ClCCC#CCN1CCOCC1
InChIInChI=1S/C9H14ClNO.ClH/c10-4-2-1-3-5-11-6-8-12-9-7-11;/h2,4-9H2;1H
InChIKeyPPKDGBFPQAFTHT-UHFFFAOYSA-N
XLogP1.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloropent-2-ynyl)morpholine;hydrochloride?
The IUPAC name of 4-(5-chloropent-2-ynyl)morpholine;hydrochloride (CID 18703559) is 4-(5-chloropent-2-ynyl)morpholine;hydrochloride.
What is the SMILES notation for 4-(5-chloropent-2-ynyl)morpholine;hydrochloride?
The canonical SMILES for 4-(5-chloropent-2-ynyl)morpholine;hydrochloride is Cl.ClCCC#CCN1CCOCC1.
What is the InChIKey of 4-(5-chloropent-2-ynyl)morpholine;hydrochloride?
The InChIKey is PPKDGBFPQAFTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO.ClH/c10-4-2-1-3-5-11-6-8-12-9-7-11;/h2,4-9H2;1H.
What are the key properties of 4-(5-chloropent-2-ynyl)morpholine;hydrochloride?
4-(5-chloropent-2-ynyl)morpholine;hydrochloride has a molecular weight of 224.13 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloropent-2-ynyl)morpholine;hydrochloride is sourced from PubChem (CID 18703559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).