1-[(2Z)-2-[[4-(1-phenylethenyl)phenyl]methylidene]cyclohexyl]azetidine

C24H27N — CID 70432400

IUPAC1-[(2Z)-2-[[4-(1-phenylethenyl)phenyl]methylidene]cyclohexyl]azetidine
SMILESC=C(c1ccccc1)c1ccc(/C=C2/CCCCC2N2CCC2)cc1
InChIInChI=1S/C24H27N/c1-19(21-8-3-2-4-9-21)22-14-12-20(13-15-22)18-23-10-5-6-11-24(23)25-16-7-17-25/h2-4,8-9,12-15,18,24H,1,5-7,10-11,16-17H2/b23-18-
InChIKeyWUSZOWOVHKGADY-NKFKGCMQSA-N
MW329.49 g/mol
LogP5.78
Rot. Bonds4

About 1-[(2Z)-2-[[4-(1-phenylethenyl)phenyl]methylidene]cyclohexyl]azetidine

1-[(2Z)-2-[[4-(1-phenylethenyl)phenyl]methylidene]cyclohexyl]azetidine (PubChem CID 70432400) has the molecular formula C24H27N and a molecular weight of 329.49 g/mol. Its IUPAC name is 1-[(2Z)-2-[[4-(1-phenylethenyl)phenyl]methylidene]cyclohexyl]azetidine.

Molecular Properties

Compound Name1-[(2Z)-2-[[4-(1-phenylethenyl)phenyl]methylidene]cyclohexyl]azetidine
PubChem CID70432400
Molecular FormulaC24H27N
Molecular Weight329.49 g/mol
Exact Mass329.21
IUPAC Name1-[(2Z)-2-[[4-(1-phenylethenyl)phenyl]methylidene]cyclohexyl]azetidine
SMILESC=C(c1ccccc1)c1ccc(/C=C2/CCCCC2N2CCC2)cc1
InChIInChI=1S/C24H27N/c1-19(21-8-3-2-4-9-21)22-14-12-20(13-15-22)18-23-10-5-6-11-24(23)25-16-7-17-25/h2-4,8-9,12-15,18,24H,1,5-7,10-11,16-17H2/b23-18-
InChIKeyWUSZOWOVHKGADY-NKFKGCMQSA-N
XLogP5.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.49
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2Z)-2-[[4-(1-phenylethenyl)phenyl]methylidene]cyclohexyl]azetidine?
The IUPAC name of 1-[(2Z)-2-[[4-(1-phenylethenyl)phenyl]methylidene]cyclohexyl]azetidine (CID 70432400) is 1-[(2Z)-2-[[4-(1-phenylethenyl)phenyl]methylidene]cyclohexyl]azetidine.
What is the SMILES notation for 1-[(2Z)-2-[[4-(1-phenylethenyl)phenyl]methylidene]cyclohexyl]azetidine?
The canonical SMILES for 1-[(2Z)-2-[[4-(1-phenylethenyl)phenyl]methylidene]cyclohexyl]azetidine is C=C(c1ccccc1)c1ccc(/C=C2/CCCCC2N2CCC2)cc1.
What is the InChIKey of 1-[(2Z)-2-[[4-(1-phenylethenyl)phenyl]methylidene]cyclohexyl]azetidine?
The InChIKey is WUSZOWOVHKGADY-NKFKGCMQSA-N. The full InChI is InChI=1S/C24H27N/c1-19(21-8-3-2-4-9-21)22-14-12-20(13-15-22)18-23-10-5-6-11-24(23)25-16-7-17-25/h2-4,8-9,12-15,18,24H,1,5-7,10-11,16-17H2/b23-18-.
What are the key properties of 1-[(2Z)-2-[[4-(1-phenylethenyl)phenyl]methylidene]cyclohexyl]azetidine?
1-[(2Z)-2-[[4-(1-phenylethenyl)phenyl]methylidene]cyclohexyl]azetidine has a molecular weight of 329.49 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z)-2-[[4-(1-phenylethenyl)phenyl]methylidene]cyclohexyl]azetidine is sourced from PubChem (CID 70432400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).