(3S)-3-[(E)-hex-3-en-3-yl]morpholine

C10H19NO — CID 167197426

IUPAC(3S)-3-[(E)-hex-3-en-3-yl]morpholine
SMILESCC/C=C(\CC)[C@H]1COCCN1
InChIInChI=1S/C10H19NO/c1-3-5-9(4-2)10-8-12-7-6-11-10/h5,10-11H,3-4,6-8H2,1-2H3/b9-5+/t10-/m1/s1
InChIKeyQNULJXPFZXDNSB-NAZIUFLLSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds3

About (3S)-3-[(E)-hex-3-en-3-yl]morpholine

(3S)-3-[(E)-hex-3-en-3-yl]morpholine (PubChem CID 167197426) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (3S)-3-[(E)-hex-3-en-3-yl]morpholine.

Molecular Properties

Compound Name(3S)-3-[(E)-hex-3-en-3-yl]morpholine
PubChem CID167197426
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(3S)-3-[(E)-hex-3-en-3-yl]morpholine
SMILESCC/C=C(\CC)[C@H]1COCCN1
InChIInChI=1S/C10H19NO/c1-3-5-9(4-2)10-8-12-7-6-11-10/h5,10-11H,3-4,6-8H2,1-2H3/b9-5+/t10-/m1/s1
InChIKeyQNULJXPFZXDNSB-NAZIUFLLSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(E)-hex-3-en-3-yl]morpholine?
The IUPAC name of (3S)-3-[(E)-hex-3-en-3-yl]morpholine (CID 167197426) is (3S)-3-[(E)-hex-3-en-3-yl]morpholine.
What is the SMILES notation for (3S)-3-[(E)-hex-3-en-3-yl]morpholine?
The canonical SMILES for (3S)-3-[(E)-hex-3-en-3-yl]morpholine is CC/C=C(\CC)[C@H]1COCCN1.
What is the InChIKey of (3S)-3-[(E)-hex-3-en-3-yl]morpholine?
The InChIKey is QNULJXPFZXDNSB-NAZIUFLLSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-5-9(4-2)10-8-12-7-6-11-10/h5,10-11H,3-4,6-8H2,1-2H3/b9-5+/t10-/m1/s1.
What are the key properties of (3S)-3-[(E)-hex-3-en-3-yl]morpholine?
(3S)-3-[(E)-hex-3-en-3-yl]morpholine has a molecular weight of 169.27 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(E)-hex-3-en-3-yl]morpholine is sourced from PubChem (CID 167197426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).