2-[(3S)-2'-amino-3'-cyano-6,6-dimethyl-2,4-dioxospiro[5,7-dihydroindole-3,4'-chromene]-1-yl]acetamide

C21H20N4O4 — CID 7266599

IUPAC2-[(3S)-2'-amino-3'-cyano-6,6-dimethyl-2,4-dioxospiro[5,7-dihydroindole-3,4'-chromene]-1-yl]acetamide
SMILESCC1(C)CC(=O)C2=C(C1)N(CC(N)=O)C(=O)[C@@]21C(C#N)=C(N)Oc2ccccc21
InChIInChI=1S/C21H20N4O4/c1-20(2)7-13-17(14(26)8-20)21(19(28)25(13)10-16(23)27)11-5-3-4-6-15(11)29-18(24)12(21)9-22/h3-6H,7-8,10,24H2,1-2H3,(H2,23,27)/t21-/m0/s1
InChIKeyATWRFNHRGCQUKI-NRFANRHFSA-N
MW392.42 g/mol
LogP0.98
Rot. Bonds2

About 2-[(3S)-2'-amino-3'-cyano-6,6-dimethyl-2,4-dioxospiro[5,7-dihydroindole-3,4'-chromene]-1-yl]acetamide

2-[(3S)-2'-amino-3'-cyano-6,6-dimethyl-2,4-dioxospiro[5,7-dihydroindole-3,4'-chromene]-1-yl]acetamide (PubChem CID 7266599) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 2-[(3S)-2'-amino-3'-cyano-6,6-dimethyl-2,4-dioxospiro[5,7-dihydroindole-3,4'-chromene]-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3S)-2'-amino-3'-cyano-6,6-dimethyl-2,4-dioxospiro[5,7-dihydroindole-3,4'-chromene]-1-yl]acetamide
PubChem CID7266599
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name2-[(3S)-2'-amino-3'-cyano-6,6-dimethyl-2,4-dioxospiro[5,7-dihydroindole-3,4'-chromene]-1-yl]acetamide
SMILESCC1(C)CC(=O)C2=C(C1)N(CC(N)=O)C(=O)[C@@]21C(C#N)=C(N)Oc2ccccc21
InChIInChI=1S/C21H20N4O4/c1-20(2)7-13-17(14(26)8-20)21(19(28)25(13)10-16(23)27)11-5-3-4-6-15(11)29-18(24)12(21)9-22/h3-6H,7-8,10,24H2,1-2H3,(H2,23,27)/t21-/m0/s1
InChIKeyATWRFNHRGCQUKI-NRFANRHFSA-N
XLogP0.98
TPSA139.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-2'-amino-6,6-dimethyl-2,4-dioxo-1-prop-2-enylspiro[5,7-dihydroindole-3,4'-chromene]-3'-carbonitrile
CID 2223994
2-[(4R)-2-amino-3-cyano-7,7-dimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-1'-yl]acetic acid
CID 27308423
(3R)-2'-amino-2,4-dioxo-1-prop-2-enylspiro[6,7-dihydro-5H-indole-3,4'-chromene]-3'-carbonitrile
CID 7266507
(4S)-4'-acetyl-2-amino-5'-methyl-2'-oxo-1'-prop-2-enylspiro[chromene-4,3'-pyrrole]-3-carbonitrile
CID 934922
methyl (4R)-2-amino-3-cyano-1'-(2-methoxy-2-oxoethyl)-2'-methyl-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate
CID 7266564
2-[(4R)-2-amino-3-cyano-1-(dimethylamino)-7,7-dimethyl-2',5-dioxospiro[6,8-dihydroquinoline-4,3'-indole]-1'-yl]-N-phenylacetamide
CID 42578803
2-amino-7,7-dimethyl-1'-(morpholin-4-ylmethyl)-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-3-carbonitrile
CID 660924
(4R)-2-amino-1'-[(4-fluorophenyl)methyl]-7,7-dimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-3-carbonitrile
CID 27308428
ethyl (4R)-2-amino-3-cyano-2'-(2-ethoxy-2-oxoethyl)-1'-(2-methoxy-2-oxoethyl)-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate
CID 2301860
tert-butyl (4S)-2-amino-3-cyano-2'-methyl-5'-oxo-1'-prop-2-enylspiro[chromene-4,4'-pyrrole]-3'-carboxylate
CID 7266515
tert-butyl (4R)-2-amino-3-cyano-2'-methyl-5'-oxo-1'-prop-2-enylspiro[chromene-4,4'-pyrrole]-3'-carboxylate
CID 7266516
2-amino-1'-benzyl-7,7-dimethyl-2',5-dioxo-1-phenylspiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile
CID 132580145

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-2'-amino-3'-cyano-6,6-dimethyl-2,4-dioxospiro[5,7-dihydroindole-3,4'-chromene]-1-yl]acetamide?
The IUPAC name of 2-[(3S)-2'-amino-3'-cyano-6,6-dimethyl-2,4-dioxospiro[5,7-dihydroindole-3,4'-chromene]-1-yl]acetamide (CID 7266599) is 2-[(3S)-2'-amino-3'-cyano-6,6-dimethyl-2,4-dioxospiro[5,7-dihydroindole-3,4'-chromene]-1-yl]acetamide.
What is the SMILES notation for 2-[(3S)-2'-amino-3'-cyano-6,6-dimethyl-2,4-dioxospiro[5,7-dihydroindole-3,4'-chromene]-1-yl]acetamide?
The canonical SMILES for 2-[(3S)-2'-amino-3'-cyano-6,6-dimethyl-2,4-dioxospiro[5,7-dihydroindole-3,4'-chromene]-1-yl]acetamide is CC1(C)CC(=O)C2=C(C1)N(CC(N)=O)C(=O)[C@@]21C(C#N)=C(N)Oc2ccccc21.
What is the InChIKey of 2-[(3S)-2'-amino-3'-cyano-6,6-dimethyl-2,4-dioxospiro[5,7-dihydroindole-3,4'-chromene]-1-yl]acetamide?
The InChIKey is ATWRFNHRGCQUKI-NRFANRHFSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-20(2)7-13-17(14(26)8-20)21(19(28)25(13)10-16(23)27)11-5-3-4-6-15(11)29-18(24)12(21)9-22/h3-6H,7-8,10,24H2,1-2H3,(H2,23,27)/t21-/m0/s1.
What are the key properties of 2-[(3S)-2'-amino-3'-cyano-6,6-dimethyl-2,4-dioxospiro[5,7-dihydroindole-3,4'-chromene]-1-yl]acetamide?
2-[(3S)-2'-amino-3'-cyano-6,6-dimethyl-2,4-dioxospiro[5,7-dihydroindole-3,4'-chromene]-1-yl]acetamide has a molecular weight of 392.42 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-2'-amino-3'-cyano-6,6-dimethyl-2,4-dioxospiro[5,7-dihydroindole-3,4'-chromene]-1-yl]acetamide is sourced from PubChem (CID 7266599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).