2-amino-6,7-di(ethylidene)-3-methyl-9-phenyl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one

C18H21N3O2 — CID 91572064

IUPAC2-amino-6,7-di(ethylidene)-3-methyl-9-phenyl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one
SMILESCC=C1OC(c2ccccc2)CC2(N=C(N)N(C)C2=O)C1=CC
InChIInChI=1S/C18H21N3O2/c1-4-13-14(5-2)23-15(12-9-7-6-8-10-12)11-18(13)16(22)21(3)17(19)20-18/h4-10,15H,11H2,1-3H3,(H2,19,20)
InChIKeyHMJJHRJGTSGOOQ-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.52
Rot. Bonds1

About 2-amino-6,7-di(ethylidene)-3-methyl-9-phenyl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one

2-amino-6,7-di(ethylidene)-3-methyl-9-phenyl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one (PubChem CID 91572064) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-amino-6,7-di(ethylidene)-3-methyl-9-phenyl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-amino-6,7-di(ethylidene)-3-methyl-9-phenyl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one
PubChem CID91572064
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-amino-6,7-di(ethylidene)-3-methyl-9-phenyl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one
SMILESCC=C1OC(c2ccccc2)CC2(N=C(N)N(C)C2=O)C1=CC
InChIInChI=1S/C18H21N3O2/c1-4-13-14(5-2)23-15(12-9-7-6-8-10-12)11-18(13)16(22)21(3)17(19)20-18/h4-10,15H,11H2,1-3H3,(H2,19,20)
InChIKeyHMJJHRJGTSGOOQ-UHFFFAOYSA-N
XLogP2.52
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4S)-2'-amino-6-bromo-3'-methyl-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;(2S,4S)-2'-amino-6-bromo-3'-methyl-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;6-bromo-3'-methyl-2'-methylsulfanyl-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one
CID 159265357
2-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)benzonitrile
CID 58424375
2'-amino-3'-methyl-6-[4-(methylaminomethyl)phenyl]-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;formaldehyde
CID 143944589
5-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)pyridine-3-carbonitrile
CID 46178646
N-[[3-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)phenyl]methyl]acetamide
CID 67385010
2'-amino-6-bromo-3'-methyl-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;(3-propanoylphenyl)boronic acid
CID 123873643
2'-amino-6-bromo-3'-methyl-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;2-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)benzonitrile;(2-cyanophenyl)boronic acid
CID 159883497
2'-amino-6-bromo-2-(3-chlorophenyl)-3'-methylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;6-bromo-2-(3-chlorophenyl)-3'-methyl-2'-methylsulfanylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one
CID 160847081
2'-amino-3'-ethyl-6-(3-methylphenyl)-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one
CID 91445979
2-amino-5-cyclopentyl-3-methyl-5-phenylimidazol-4-one
CID 25063404
CID 70220421
CID 70220421
2'-amino-6-(3-isocyanophenyl)-3'-methyl-1-oxo-2-phenylspiro[2,3-dihydrothiochromene-4,5'-imidazole]-4'-one
CID 58424318

Frequently Asked Questions

What is the IUPAC name of 2-amino-6,7-di(ethylidene)-3-methyl-9-phenyl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-amino-6,7-di(ethylidene)-3-methyl-9-phenyl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one (CID 91572064) is 2-amino-6,7-di(ethylidene)-3-methyl-9-phenyl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-amino-6,7-di(ethylidene)-3-methyl-9-phenyl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-amino-6,7-di(ethylidene)-3-methyl-9-phenyl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one is CC=C1OC(c2ccccc2)CC2(N=C(N)N(C)C2=O)C1=CC.
What is the InChIKey of 2-amino-6,7-di(ethylidene)-3-methyl-9-phenyl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one?
The InChIKey is HMJJHRJGTSGOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-4-13-14(5-2)23-15(12-9-7-6-8-10-12)11-18(13)16(22)21(3)17(19)20-18/h4-10,15H,11H2,1-3H3,(H2,19,20).
What are the key properties of 2-amino-6,7-di(ethylidene)-3-methyl-9-phenyl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one?
2-amino-6,7-di(ethylidene)-3-methyl-9-phenyl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one has a molecular weight of 311.39 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6,7-di(ethylidene)-3-methyl-9-phenyl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 91572064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).