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

C18H19NO2 — CID 144607602

IUPAC7,8-bis(ethenyl)-2-phenylmethoxy-6-azaspiro[3.4]oct-7-en-5-one
SMILESC=CC1=C(C=C)C2(CC(OCc3ccccc3)C2)C(=O)N1
InChIInChI=1S/C18H19NO2/c1-3-15-16(4-2)19-17(20)18(15)10-14(11-18)21-12-13-8-6-5-7-9-13/h3-9,14H,1-2,10-12H2,(H,19,20)
InChIKeyRMULWRYAOGBVDS-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.11
Rot. Bonds5

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

7,8-bis(ethenyl)-2-phenylmethoxy-6-azaspiro[3.4]oct-7-en-5-one (PubChem CID 144607602) has the molecular formula C18H19NO2 and a molecular weight of 281.35 g/mol. Its IUPAC name is 7,8-bis(ethenyl)-2-phenylmethoxy-6-azaspiro[3.4]oct-7-en-5-one.

Molecular Properties

Compound Name7,8-bis(ethenyl)-2-phenylmethoxy-6-azaspiro[3.4]oct-7-en-5-one
PubChem CID144607602
Molecular FormulaC18H19NO2
Molecular Weight281.35 g/mol
Exact Mass281.14
IUPAC Name7,8-bis(ethenyl)-2-phenylmethoxy-6-azaspiro[3.4]oct-7-en-5-one
SMILESC=CC1=C(C=C)C2(CC(OCc3ccccc3)C2)C(=O)N1
InChIInChI=1S/C18H19NO2/c1-3-15-16(4-2)19-17(20)18(15)10-14(11-18)21-12-13-8-6-5-7-9-13/h3-9,14H,1-2,10-12H2,(H,19,20)
InChIKeyRMULWRYAOGBVDS-UHFFFAOYSA-N
XLogP3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7,8-bis(ethenyl)-2-phenylmethoxy-6-azaspiro[3.4]oct-7-en-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Benzyloxy)-N~1~,N~6~-di-tert-butylhexanediimidic acid
CID 59311
CID 134864694
CID 134864694
3-Phenylmethoxycyclobutane-1,1-dicarboxamide
CID 10705686
3-(Benzyloxy)cyclobutane-1-carboxamide
CID 121012391
3-phenylmethoxy-N-propan-2-ylcyclobutane-1-carboxamide
CID 134576352
(5E,6E)-3-but-3-enyl-6-ethylidene-4-phenylmethoxy-5-prop-2-enylidenepyridin-2-one
CID 144352032
7,8-Bis(ethenyl)-2-phenylmethoxy-6-azaspiro[3.4]oct-7-en-5-one;ethane
CID 144607601
benzyl (Z)-8-(tert-butylamino)-2,2-dimethyl-8-oxooct-3-enoate
CID 155257802
7-[(Z)-but-2-enyl]-8-ethenyl-2-phenylmethoxy-6-azaspiro[3.4]oct-7-en-5-one
CID 164063832
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethyl-4-[2-methyl-4-(3-phenylmethoxycyclobutyl)oxybutan-2-yl]oxybutanamide
CID 167490823
7-Phenylmethoxy-1-azaspiro[3.3]heptan-2-one
CID 176377385
N-methyl-3-phenylmethoxycyclobutane-1-carboxamide
CID 178609062

Frequently Asked Questions

What is the IUPAC name of 7,8-bis(ethenyl)-2-phenylmethoxy-6-azaspiro[3.4]oct-7-en-5-one?
The IUPAC name of 7,8-bis(ethenyl)-2-phenylmethoxy-6-azaspiro[3.4]oct-7-en-5-one (CID 144607602) is 7,8-bis(ethenyl)-2-phenylmethoxy-6-azaspiro[3.4]oct-7-en-5-one.
What is the SMILES notation for 7,8-bis(ethenyl)-2-phenylmethoxy-6-azaspiro[3.4]oct-7-en-5-one?
The canonical SMILES for 7,8-bis(ethenyl)-2-phenylmethoxy-6-azaspiro[3.4]oct-7-en-5-one is C=CC1=C(C=C)C2(CC(OCc3ccccc3)C2)C(=O)N1.
What is the InChIKey of 7,8-bis(ethenyl)-2-phenylmethoxy-6-azaspiro[3.4]oct-7-en-5-one?
The InChIKey is RMULWRYAOGBVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-3-15-16(4-2)19-17(20)18(15)10-14(11-18)21-12-13-8-6-5-7-9-13/h3-9,14H,1-2,10-12H2,(H,19,20).
What are the key properties of 7,8-bis(ethenyl)-2-phenylmethoxy-6-azaspiro[3.4]oct-7-en-5-one?
7,8-bis(ethenyl)-2-phenylmethoxy-6-azaspiro[3.4]oct-7-en-5-one has a molecular weight of 281.35 g/mol, XLogP of 3.11, 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 is sourced from PubChem (CID 144607602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).