4-[5-(cyclohexen-1-yl)-3-ethoxy-2-[(E)-1-phenylprop-1-enyl]cyclopenta-2,4-dien-1-yl]morpholine

C26H33NO2 — CID 10715505

IUPAC4-[5-(cyclohexen-1-yl)-3-ethoxy-2-[(E)-1-phenylprop-1-enyl]cyclopenta-2,4-dien-1-yl]morpholine
SMILESC/C=C(/C1=C(OCC)C=C(C2=CCCCC2)C1N1CCOCC1)c1ccccc1
InChIInChI=1S/C26H33NO2/c1-3-22(20-11-7-5-8-12-20)25-24(29-4-2)19-23(21-13-9-6-10-14-21)26(25)27-15-17-28-18-16-27/h3,5,7-8,11-13,19,26H,4,6,9-10,14-18H2,1-2H3/b22-3+
InChIKeyLDAWZEVEMZGHSO-HEQWTUPCSA-N
MW391.56 g/mol
LogP5.52
Rot. Bonds6

About 4-[5-(cyclohexen-1-yl)-3-ethoxy-2-[(E)-1-phenylprop-1-enyl]cyclopenta-2,4-dien-1-yl]morpholine

4-[5-(cyclohexen-1-yl)-3-ethoxy-2-[(E)-1-phenylprop-1-enyl]cyclopenta-2,4-dien-1-yl]morpholine (PubChem CID 10715505) has the molecular formula C26H33NO2 and a molecular weight of 391.56 g/mol. Its IUPAC name is 4-[5-(cyclohexen-1-yl)-3-ethoxy-2-[(E)-1-phenylprop-1-enyl]cyclopenta-2,4-dien-1-yl]morpholine.

Molecular Properties

Compound Name4-[5-(cyclohexen-1-yl)-3-ethoxy-2-[(E)-1-phenylprop-1-enyl]cyclopenta-2,4-dien-1-yl]morpholine
PubChem CID10715505
Molecular FormulaC26H33NO2
Molecular Weight391.56 g/mol
Exact Mass391.25
IUPAC Name4-[5-(cyclohexen-1-yl)-3-ethoxy-2-[(E)-1-phenylprop-1-enyl]cyclopenta-2,4-dien-1-yl]morpholine
SMILESC/C=C(/C1=C(OCC)C=C(C2=CCCCC2)C1N1CCOCC1)c1ccccc1
InChIInChI=1S/C26H33NO2/c1-3-22(20-11-7-5-8-12-20)25-24(29-4-2)19-23(21-13-9-6-10-14-21)26(25)27-15-17-28-18-16-27/h3,5,7-8,11-13,19,26H,4,6,9-10,14-18H2,1-2H3/b22-3+
InChIKeyLDAWZEVEMZGHSO-HEQWTUPCSA-N
XLogP5.52
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.56
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(cyclohexen-1-yl)-3-ethoxy-2-[(E)-1-phenylprop-1-enyl]cyclopenta-2,4-dien-1-yl]morpholine?
The IUPAC name of 4-[5-(cyclohexen-1-yl)-3-ethoxy-2-[(E)-1-phenylprop-1-enyl]cyclopenta-2,4-dien-1-yl]morpholine (CID 10715505) is 4-[5-(cyclohexen-1-yl)-3-ethoxy-2-[(E)-1-phenylprop-1-enyl]cyclopenta-2,4-dien-1-yl]morpholine.
What is the SMILES notation for 4-[5-(cyclohexen-1-yl)-3-ethoxy-2-[(E)-1-phenylprop-1-enyl]cyclopenta-2,4-dien-1-yl]morpholine?
The canonical SMILES for 4-[5-(cyclohexen-1-yl)-3-ethoxy-2-[(E)-1-phenylprop-1-enyl]cyclopenta-2,4-dien-1-yl]morpholine is C/C=C(/C1=C(OCC)C=C(C2=CCCCC2)C1N1CCOCC1)c1ccccc1.
What is the InChIKey of 4-[5-(cyclohexen-1-yl)-3-ethoxy-2-[(E)-1-phenylprop-1-enyl]cyclopenta-2,4-dien-1-yl]morpholine?
The InChIKey is LDAWZEVEMZGHSO-HEQWTUPCSA-N. The full InChI is InChI=1S/C26H33NO2/c1-3-22(20-11-7-5-8-12-20)25-24(29-4-2)19-23(21-13-9-6-10-14-21)26(25)27-15-17-28-18-16-27/h3,5,7-8,11-13,19,26H,4,6,9-10,14-18H2,1-2H3/b22-3+.
What are the key properties of 4-[5-(cyclohexen-1-yl)-3-ethoxy-2-[(E)-1-phenylprop-1-enyl]cyclopenta-2,4-dien-1-yl]morpholine?
4-[5-(cyclohexen-1-yl)-3-ethoxy-2-[(E)-1-phenylprop-1-enyl]cyclopenta-2,4-dien-1-yl]morpholine has a molecular weight of 391.56 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(cyclohexen-1-yl)-3-ethoxy-2-[(E)-1-phenylprop-1-enyl]cyclopenta-2,4-dien-1-yl]morpholine is sourced from PubChem (CID 10715505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).