4-[(E)-3-chloroprop-2-enyl]morpholine

C7H12ClNO — CID 10953826

IUPAC4-[(E)-3-chloroprop-2-enyl]morpholine
SMILESCl/C=C/CN1CCOCC1
InChIInChI=1S/C7H12ClNO/c8-2-1-3-9-4-6-10-7-5-9/h1-2H,3-7H2/b2-1+
InChIKeyZKGAOLQUILWYKQ-OWOJBTEDSA-N
MW161.63 g/mol
LogP1.07
Rot. Bonds2

About 4-[(E)-3-chloroprop-2-enyl]morpholine

4-[(E)-3-chloroprop-2-enyl]morpholine (PubChem CID 10953826) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is 4-[(E)-3-chloroprop-2-enyl]morpholine.

Molecular Properties

Compound Name4-[(E)-3-chloroprop-2-enyl]morpholine
PubChem CID10953826
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC Name4-[(E)-3-chloroprop-2-enyl]morpholine
SMILESCl/C=C/CN1CCOCC1
InChIInChI=1S/C7H12ClNO/c8-2-1-3-9-4-6-10-7-5-9/h1-2H,3-7H2/b2-1+
InChIKeyZKGAOLQUILWYKQ-OWOJBTEDSA-N
XLogP1.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-chloroprop-2-enyl]morpholine?
The IUPAC name of 4-[(E)-3-chloroprop-2-enyl]morpholine (CID 10953826) is 4-[(E)-3-chloroprop-2-enyl]morpholine.
What is the SMILES notation for 4-[(E)-3-chloroprop-2-enyl]morpholine?
The canonical SMILES for 4-[(E)-3-chloroprop-2-enyl]morpholine is Cl/C=C/CN1CCOCC1.
What is the InChIKey of 4-[(E)-3-chloroprop-2-enyl]morpholine?
The InChIKey is ZKGAOLQUILWYKQ-OWOJBTEDSA-N. The full InChI is InChI=1S/C7H12ClNO/c8-2-1-3-9-4-6-10-7-5-9/h1-2H,3-7H2/b2-1+.
What are the key properties of 4-[(E)-3-chloroprop-2-enyl]morpholine?
4-[(E)-3-chloroprop-2-enyl]morpholine has a molecular weight of 161.63 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-chloroprop-2-enyl]morpholine is sourced from PubChem (CID 10953826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).