(5S)-3-morpholin-4-yl-5-phenylcyclohex-2-en-1-one

C16H19NO2 — CID 788554

IUPAC(5S)-3-morpholin-4-yl-5-phenylcyclohex-2-en-1-one
SMILESO=C1C=C(N2CCOCC2)C[C@H](c2ccccc2)C1
InChIInChI=1S/C16H19NO2/c18-16-11-14(13-4-2-1-3-5-13)10-15(12-16)17-6-8-19-9-7-17/h1-5,12,14H,6-11H2/t14-/m0/s1
InChIKeyVLZQFDDJCCNSCZ-AWEZNQCLSA-N
MW257.33 g/mol
LogP2.35
Rot. Bonds2

About (5S)-3-morpholin-4-yl-5-phenylcyclohex-2-en-1-one

(5S)-3-morpholin-4-yl-5-phenylcyclohex-2-en-1-one (PubChem CID 788554) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (5S)-3-morpholin-4-yl-5-phenylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(5S)-3-morpholin-4-yl-5-phenylcyclohex-2-en-1-one
PubChem CID788554
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(5S)-3-morpholin-4-yl-5-phenylcyclohex-2-en-1-one
SMILESO=C1C=C(N2CCOCC2)C[C@H](c2ccccc2)C1
InChIInChI=1S/C16H19NO2/c18-16-11-14(13-4-2-1-3-5-13)10-15(12-16)17-6-8-19-9-7-17/h1-5,12,14H,6-11H2/t14-/m0/s1
InChIKeyVLZQFDDJCCNSCZ-AWEZNQCLSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-morpholin-4-yl-5-phenylcyclohex-2-en-1-one?
The IUPAC name of (5S)-3-morpholin-4-yl-5-phenylcyclohex-2-en-1-one (CID 788554) is (5S)-3-morpholin-4-yl-5-phenylcyclohex-2-en-1-one.
What is the SMILES notation for (5S)-3-morpholin-4-yl-5-phenylcyclohex-2-en-1-one?
The canonical SMILES for (5S)-3-morpholin-4-yl-5-phenylcyclohex-2-en-1-one is O=C1C=C(N2CCOCC2)C[C@H](c2ccccc2)C1.
What is the InChIKey of (5S)-3-morpholin-4-yl-5-phenylcyclohex-2-en-1-one?
The InChIKey is VLZQFDDJCCNSCZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19NO2/c18-16-11-14(13-4-2-1-3-5-13)10-15(12-16)17-6-8-19-9-7-17/h1-5,12,14H,6-11H2/t14-/m0/s1.
What are the key properties of (5S)-3-morpholin-4-yl-5-phenylcyclohex-2-en-1-one?
(5S)-3-morpholin-4-yl-5-phenylcyclohex-2-en-1-one has a molecular weight of 257.33 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-morpholin-4-yl-5-phenylcyclohex-2-en-1-one is sourced from PubChem (CID 788554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).