4-[3-ethoxy-2-[(E)-1-phenylprop-1-enyl]-5-prop-1-en-2-ylcyclopenta-2,4-dien-1-yl]morpholine

C23H29NO2 — CID 10617934

IUPAC4-[3-ethoxy-2-[(E)-1-phenylprop-1-enyl]-5-prop-1-en-2-ylcyclopenta-2,4-dien-1-yl]morpholine
SMILESC=C(C)C1=CC(OCC)=C(/C(=C/C)c2ccccc2)C1N1CCOCC1
InChIInChI=1S/C23H29NO2/c1-5-19(18-10-8-7-9-11-18)22-21(26-6-2)16-20(17(3)4)23(22)24-12-14-25-15-13-24/h5,7-11,16,23H,3,6,12-15H2,1-2,4H3/b19-5+
InChIKeyOEFACKCNWHCEQM-PTXOJBNSSA-N
MW351.49 g/mol
LogP4.60
Rot. Bonds6

About 4-[3-ethoxy-2-[(E)-1-phenylprop-1-enyl]-5-prop-1-en-2-ylcyclopenta-2,4-dien-1-yl]morpholine

4-[3-ethoxy-2-[(E)-1-phenylprop-1-enyl]-5-prop-1-en-2-ylcyclopenta-2,4-dien-1-yl]morpholine (PubChem CID 10617934) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 4-[3-ethoxy-2-[(E)-1-phenylprop-1-enyl]-5-prop-1-en-2-ylcyclopenta-2,4-dien-1-yl]morpholine.

Molecular Properties

Compound Name4-[3-ethoxy-2-[(E)-1-phenylprop-1-enyl]-5-prop-1-en-2-ylcyclopenta-2,4-dien-1-yl]morpholine
PubChem CID10617934
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name4-[3-ethoxy-2-[(E)-1-phenylprop-1-enyl]-5-prop-1-en-2-ylcyclopenta-2,4-dien-1-yl]morpholine
SMILESC=C(C)C1=CC(OCC)=C(/C(=C/C)c2ccccc2)C1N1CCOCC1
InChIInChI=1S/C23H29NO2/c1-5-19(18-10-8-7-9-11-18)22-21(26-6-2)16-20(17(3)4)23(22)24-12-14-25-15-13-24/h5,7-11,16,23H,3,6,12-15H2,1-2,4H3/b19-5+
InChIKeyOEFACKCNWHCEQM-PTXOJBNSSA-N
XLogP4.60
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-ethoxy-2-[(E)-1-phenylprop-1-enyl]-5-prop-1-en-2-ylcyclopenta-2,4-dien-1-yl]morpholine?
The IUPAC name of 4-[3-ethoxy-2-[(E)-1-phenylprop-1-enyl]-5-prop-1-en-2-ylcyclopenta-2,4-dien-1-yl]morpholine (CID 10617934) is 4-[3-ethoxy-2-[(E)-1-phenylprop-1-enyl]-5-prop-1-en-2-ylcyclopenta-2,4-dien-1-yl]morpholine.
What is the SMILES notation for 4-[3-ethoxy-2-[(E)-1-phenylprop-1-enyl]-5-prop-1-en-2-ylcyclopenta-2,4-dien-1-yl]morpholine?
The canonical SMILES for 4-[3-ethoxy-2-[(E)-1-phenylprop-1-enyl]-5-prop-1-en-2-ylcyclopenta-2,4-dien-1-yl]morpholine is C=C(C)C1=CC(OCC)=C(/C(=C/C)c2ccccc2)C1N1CCOCC1.
What is the InChIKey of 4-[3-ethoxy-2-[(E)-1-phenylprop-1-enyl]-5-prop-1-en-2-ylcyclopenta-2,4-dien-1-yl]morpholine?
The InChIKey is OEFACKCNWHCEQM-PTXOJBNSSA-N. The full InChI is InChI=1S/C23H29NO2/c1-5-19(18-10-8-7-9-11-18)22-21(26-6-2)16-20(17(3)4)23(22)24-12-14-25-15-13-24/h5,7-11,16,23H,3,6,12-15H2,1-2,4H3/b19-5+.
What are the key properties of 4-[3-ethoxy-2-[(E)-1-phenylprop-1-enyl]-5-prop-1-en-2-ylcyclopenta-2,4-dien-1-yl]morpholine?
4-[3-ethoxy-2-[(E)-1-phenylprop-1-enyl]-5-prop-1-en-2-ylcyclopenta-2,4-dien-1-yl]morpholine has a molecular weight of 351.49 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-ethoxy-2-[(E)-1-phenylprop-1-enyl]-5-prop-1-en-2-ylcyclopenta-2,4-dien-1-yl]morpholine is sourced from PubChem (CID 10617934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).