4-[(Z)-4-(2,3-dimethylphenyl)pent-2-en-2-yl]morpholine

C17H25NO — CID 90265156

IUPAC4-[(Z)-4-(2,3-dimethylphenyl)pent-2-en-2-yl]morpholine
SMILESC/C(=C/C(C)c1cccc(C)c1C)N1CCOCC1
InChIInChI=1S/C17H25NO/c1-13-6-5-7-17(16(13)4)14(2)12-15(3)18-8-10-19-11-9-18/h5-7,12,14H,8-11H2,1-4H3/b15-12-
InChIKeyVGIONCLGPXAIGQ-QINSGFPZSA-N
MW259.39 g/mol
LogP3.64
Rot. Bonds3

About 4-[(Z)-4-(2,3-dimethylphenyl)pent-2-en-2-yl]morpholine

4-[(Z)-4-(2,3-dimethylphenyl)pent-2-en-2-yl]morpholine (PubChem CID 90265156) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-[(Z)-4-(2,3-dimethylphenyl)pent-2-en-2-yl]morpholine.

Molecular Properties

Compound Name4-[(Z)-4-(2,3-dimethylphenyl)pent-2-en-2-yl]morpholine
PubChem CID90265156
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-[(Z)-4-(2,3-dimethylphenyl)pent-2-en-2-yl]morpholine
SMILESC/C(=C/C(C)c1cccc(C)c1C)N1CCOCC1
InChIInChI=1S/C17H25NO/c1-13-6-5-7-17(16(13)4)14(2)12-15(3)18-8-10-19-11-9-18/h5-7,12,14H,8-11H2,1-4H3/b15-12-
InChIKeyVGIONCLGPXAIGQ-QINSGFPZSA-N
XLogP3.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-4-(2,3-dimethylphenyl)pent-2-en-2-yl]morpholine?
The IUPAC name of 4-[(Z)-4-(2,3-dimethylphenyl)pent-2-en-2-yl]morpholine (CID 90265156) is 4-[(Z)-4-(2,3-dimethylphenyl)pent-2-en-2-yl]morpholine.
What is the SMILES notation for 4-[(Z)-4-(2,3-dimethylphenyl)pent-2-en-2-yl]morpholine?
The canonical SMILES for 4-[(Z)-4-(2,3-dimethylphenyl)pent-2-en-2-yl]morpholine is C/C(=C/C(C)c1cccc(C)c1C)N1CCOCC1.
What is the InChIKey of 4-[(Z)-4-(2,3-dimethylphenyl)pent-2-en-2-yl]morpholine?
The InChIKey is VGIONCLGPXAIGQ-QINSGFPZSA-N. The full InChI is InChI=1S/C17H25NO/c1-13-6-5-7-17(16(13)4)14(2)12-15(3)18-8-10-19-11-9-18/h5-7,12,14H,8-11H2,1-4H3/b15-12-.
What are the key properties of 4-[(Z)-4-(2,3-dimethylphenyl)pent-2-en-2-yl]morpholine?
4-[(Z)-4-(2,3-dimethylphenyl)pent-2-en-2-yl]morpholine has a molecular weight of 259.39 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-4-(2,3-dimethylphenyl)pent-2-en-2-yl]morpholine is sourced from PubChem (CID 90265156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).