(3S)-3-cyclohexa-2,4-dien-1-ylmorpholine

C10H15NO — CID 135170044

IUPAC(3S)-3-cyclohexa-2,4-dien-1-ylmorpholine
SMILESC1=CCC([C@H]2COCCN2)C=C1
InChIInChI=1S/C10H15NO/c1-2-4-9(5-3-1)10-8-12-7-6-11-10/h1-4,9-11H,5-8H2/t9?,10-/m1/s1
InChIKeyCUZQLAVVUKAGAW-QVDQXJPCSA-N
MW165.24 g/mol
LogP1.11
Rot. Bonds1

About (3S)-3-cyclohexa-2,4-dien-1-ylmorpholine

(3S)-3-cyclohexa-2,4-dien-1-ylmorpholine (PubChem CID 135170044) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (3S)-3-cyclohexa-2,4-dien-1-ylmorpholine.

Molecular Properties

Compound Name(3S)-3-cyclohexa-2,4-dien-1-ylmorpholine
PubChem CID135170044
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(3S)-3-cyclohexa-2,4-dien-1-ylmorpholine
SMILESC1=CCC([C@H]2COCCN2)C=C1
InChIInChI=1S/C10H15NO/c1-2-4-9(5-3-1)10-8-12-7-6-11-10/h1-4,9-11H,5-8H2/t9?,10-/m1/s1
InChIKeyCUZQLAVVUKAGAW-QVDQXJPCSA-N
XLogP1.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclohexa-2,4-dien-1-ylmorpholine?
The IUPAC name of (3S)-3-cyclohexa-2,4-dien-1-ylmorpholine (CID 135170044) is (3S)-3-cyclohexa-2,4-dien-1-ylmorpholine.
What is the SMILES notation for (3S)-3-cyclohexa-2,4-dien-1-ylmorpholine?
The canonical SMILES for (3S)-3-cyclohexa-2,4-dien-1-ylmorpholine is C1=CCC([C@H]2COCCN2)C=C1.
What is the InChIKey of (3S)-3-cyclohexa-2,4-dien-1-ylmorpholine?
The InChIKey is CUZQLAVVUKAGAW-QVDQXJPCSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-4-9(5-3-1)10-8-12-7-6-11-10/h1-4,9-11H,5-8H2/t9?,10-/m1/s1.
What are the key properties of (3S)-3-cyclohexa-2,4-dien-1-ylmorpholine?
(3S)-3-cyclohexa-2,4-dien-1-ylmorpholine has a molecular weight of 165.24 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyclohexa-2,4-dien-1-ylmorpholine is sourced from PubChem (CID 135170044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).