7,8-bis(ethenyl)-2-phenylmethoxy-6-azaspiro[3.4]oct-7-en-5-one;ethane

C20H25NO2 — CID 144607601

IUPAC7,8-bis(ethenyl)-2-phenylmethoxy-6-azaspiro[3.4]oct-7-en-5-one;ethane
SMILESC=CC1=C(C=C)C2(CC(OCc3ccccc3)C2)C(=O)N1.CC
InChIInChI=1S/C18H19NO2.C2H6/c1-3-15-16(4-2)19-17(20)18(15)10-14(11-18)21-12-13-8-6-5-7-9-13;1-2/h3-9,14H,1-2,10-12H2,(H,19,20);1-2H3
InChIKeyWTVQYJKIAIPCDS-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.13
Rot. Bonds5

About 7,8-bis(ethenyl)-2-phenylmethoxy-6-azaspiro[3.4]oct-7-en-5-one;ethane

7,8-bis(ethenyl)-2-phenylmethoxy-6-azaspiro[3.4]oct-7-en-5-one;ethane (PubChem CID 144607601) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 7,8-bis(ethenyl)-2-phenylmethoxy-6-azaspiro[3.4]oct-7-en-5-one;ethane.

Molecular Properties

Compound Name7,8-bis(ethenyl)-2-phenylmethoxy-6-azaspiro[3.4]oct-7-en-5-one;ethane
PubChem CID144607601
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name7,8-bis(ethenyl)-2-phenylmethoxy-6-azaspiro[3.4]oct-7-en-5-one;ethane
SMILESC=CC1=C(C=C)C2(CC(OCc3ccccc3)C2)C(=O)N1.CC
InChIInChI=1S/C18H19NO2.C2H6/c1-3-15-16(4-2)19-17(20)18(15)10-14(11-18)21-12-13-8-6-5-7-9-13;1-2/h3-9,14H,1-2,10-12H2,(H,19,20);1-2H3
InChIKeyWTVQYJKIAIPCDS-UHFFFAOYSA-N
XLogP4.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-bis(ethenyl)-2-phenylmethoxy-6-azaspiro[3.4]oct-7-en-5-one;ethane?
The IUPAC name of 7,8-bis(ethenyl)-2-phenylmethoxy-6-azaspiro[3.4]oct-7-en-5-one;ethane (CID 144607601) is 7,8-bis(ethenyl)-2-phenylmethoxy-6-azaspiro[3.4]oct-7-en-5-one;ethane.
What is the SMILES notation for 7,8-bis(ethenyl)-2-phenylmethoxy-6-azaspiro[3.4]oct-7-en-5-one;ethane?
The canonical SMILES for 7,8-bis(ethenyl)-2-phenylmethoxy-6-azaspiro[3.4]oct-7-en-5-one;ethane is C=CC1=C(C=C)C2(CC(OCc3ccccc3)C2)C(=O)N1.CC.
What is the InChIKey of 7,8-bis(ethenyl)-2-phenylmethoxy-6-azaspiro[3.4]oct-7-en-5-one;ethane?
The InChIKey is WTVQYJKIAIPCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2.C2H6/c1-3-15-16(4-2)19-17(20)18(15)10-14(11-18)21-12-13-8-6-5-7-9-13;1-2/h3-9,14H,1-2,10-12H2,(H,19,20);1-2H3.
What are the key properties of 7,8-bis(ethenyl)-2-phenylmethoxy-6-azaspiro[3.4]oct-7-en-5-one;ethane?
7,8-bis(ethenyl)-2-phenylmethoxy-6-azaspiro[3.4]oct-7-en-5-one;ethane has a molecular weight of 311.43 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-bis(ethenyl)-2-phenylmethoxy-6-azaspiro[3.4]oct-7-en-5-one;ethane is sourced from PubChem (CID 144607601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).