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

C9H14ClNO — CID 18703560

IUPAC4-(5-chloropent-2-ynyl)morpholine
SMILESClCCC#CCN1CCOCC1
InChIInChI=1S/C9H14ClNO/c10-4-2-1-3-5-11-6-8-12-9-7-11/h2,4-9H2
InChIKeyTTZCSIWFSQSYKS-UHFFFAOYSA-N
MW187.67 g/mol
LogP0.95
Rot. Bonds2

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

4-(5-chloropent-2-ynyl)morpholine (PubChem CID 18703560) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is 4-(5-chloropent-2-ynyl)morpholine.

Molecular Properties

Compound Name4-(5-chloropent-2-ynyl)morpholine
PubChem CID18703560
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC Name4-(5-chloropent-2-ynyl)morpholine
SMILESClCCC#CCN1CCOCC1
InChIInChI=1S/C9H14ClNO/c10-4-2-1-3-5-11-6-8-12-9-7-11/h2,4-9H2
InChIKeyTTZCSIWFSQSYKS-UHFFFAOYSA-N
XLogP0.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 50.95
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?
The IUPAC name of 4-(5-chloropent-2-ynyl)morpholine (CID 18703560) is 4-(5-chloropent-2-ynyl)morpholine.
What is the SMILES notation for 4-(5-chloropent-2-ynyl)morpholine?
The canonical SMILES for 4-(5-chloropent-2-ynyl)morpholine is ClCCC#CCN1CCOCC1.
What is the InChIKey of 4-(5-chloropent-2-ynyl)morpholine?
The InChIKey is TTZCSIWFSQSYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO/c10-4-2-1-3-5-11-6-8-12-9-7-11/h2,4-9H2.
What are the key properties of 4-(5-chloropent-2-ynyl)morpholine?
4-(5-chloropent-2-ynyl)morpholine has a molecular weight of 187.67 g/mol, XLogP of 0.95, 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 is sourced from PubChem (CID 18703560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).