2-[3-(4-methoxyphenyl)prop-2-enyl]-9-oxa-2-azaspiro[5.5]undecane

C19H27NO2 — CID 171134843

IUPAC2-[3-(4-methoxyphenyl)prop-2-enyl]-9-oxa-2-azaspiro[5.5]undecane
SMILESCOc1ccc(C=CCN2CCCC3(CCOCC3)C2)cc1
InChIInChI=1S/C19H27NO2/c1-21-18-7-5-17(6-8-18)4-2-12-20-13-3-9-19(16-20)10-14-22-15-11-19/h2,4-8H,3,9-16H2,1H3
InChIKeyFAXDHNIWJUVNJL-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.60
Rot. Bonds4

About 2-[3-(4-methoxyphenyl)prop-2-enyl]-9-oxa-2-azaspiro[5.5]undecane

2-[3-(4-methoxyphenyl)prop-2-enyl]-9-oxa-2-azaspiro[5.5]undecane (PubChem CID 171134843) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)prop-2-enyl]-9-oxa-2-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)prop-2-enyl]-9-oxa-2-azaspiro[5.5]undecane
PubChem CID171134843
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name2-[3-(4-methoxyphenyl)prop-2-enyl]-9-oxa-2-azaspiro[5.5]undecane
SMILESCOc1ccc(C=CCN2CCCC3(CCOCC3)C2)cc1
InChIInChI=1S/C19H27NO2/c1-21-18-7-5-17(6-8-18)4-2-12-20-13-3-9-19(16-20)10-14-22-15-11-19/h2,4-8H,3,9-16H2,1H3
InChIKeyFAXDHNIWJUVNJL-UHFFFAOYSA-N
XLogP3.60
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)prop-2-enyl]-9-oxa-2-azaspiro[5.5]undecane?
The IUPAC name of 2-[3-(4-methoxyphenyl)prop-2-enyl]-9-oxa-2-azaspiro[5.5]undecane (CID 171134843) is 2-[3-(4-methoxyphenyl)prop-2-enyl]-9-oxa-2-azaspiro[5.5]undecane.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)prop-2-enyl]-9-oxa-2-azaspiro[5.5]undecane?
The canonical SMILES for 2-[3-(4-methoxyphenyl)prop-2-enyl]-9-oxa-2-azaspiro[5.5]undecane is COc1ccc(C=CCN2CCCC3(CCOCC3)C2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)prop-2-enyl]-9-oxa-2-azaspiro[5.5]undecane?
The InChIKey is FAXDHNIWJUVNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-21-18-7-5-17(6-8-18)4-2-12-20-13-3-9-19(16-20)10-14-22-15-11-19/h2,4-8H,3,9-16H2,1H3.
What are the key properties of 2-[3-(4-methoxyphenyl)prop-2-enyl]-9-oxa-2-azaspiro[5.5]undecane?
2-[3-(4-methoxyphenyl)prop-2-enyl]-9-oxa-2-azaspiro[5.5]undecane has a molecular weight of 301.43 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)prop-2-enyl]-9-oxa-2-azaspiro[5.5]undecane is sourced from PubChem (CID 171134843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).