(4R)-2-amino-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carbonitrile

C18H15N3O3 — CID 704946

IUPAC(4R)-2-amino-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carbonitrile
SMILESCN1C(=O)[C@@]2(C(C#N)=C(N)OC3=C2C(=O)CCC3)c2ccccc21
InChIInChI=1S/C18H15N3O3/c1-21-12-6-3-2-5-10(12)18(17(21)23)11(9-19)16(20)24-14-8-4-7-13(22)15(14)18/h2-3,5-6H,4,7-8,20H2,1H3/t18-/m1/s1
InChIKeyVXTHFLXWLSPJSP-GOSISDBHSA-N
MW321.34 g/mol
LogP1.63
Rot. Bonds

About (4R)-2-amino-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carbonitrile

(4R)-2-amino-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carbonitrile (PubChem CID 704946) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is (4R)-2-amino-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carbonitrile.

Molecular Properties

Compound Name(4R)-2-amino-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carbonitrile
PubChem CID704946
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name(4R)-2-amino-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carbonitrile
SMILESCN1C(=O)[C@@]2(C(C#N)=C(N)OC3=C2C(=O)CCC3)c2ccccc21
InChIInChI=1S/C18H15N3O3/c1-21-12-6-3-2-5-10(12)18(17(21)23)11(9-19)16(20)24-14-8-4-7-13(22)15(14)18/h2-3,5-6H,4,7-8,20H2,1H3/t18-/m1/s1
InChIKeyVXTHFLXWLSPJSP-GOSISDBHSA-N
XLogP1.63
TPSA96.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-2-amino-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carbonitrile with MolForge

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Related Compounds

2-amino-1'-(3-methylbutyl)-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carbonitrile
CID 23475399
(4S)-2-amino-1-(dimethylamino)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile
CID 7335819
2-amino-1-(2-fluorophenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile
CID 4916424
(3S)-7'-amino-1,1',3'-trimethyl-2,2',4'-trioxospiro[indole-3,5'-pyrano[2,3-d]pyrimidine]-6'-carbonitrile
CID 42590493
2-amino-1-(3-fluorophenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile
CID 6496468
(4S)-2-amino-1'-methyl-2',5-dioxo-1-pyridin-3-ylspiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile
CID 7230308
methyl 2-[1-[(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)methyl]-3-oxopiperazin-2-yl]acetate
CID 17324631
6-amino-1'-methyl-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 3992081
2-amino-1-(4-bromo-2-methylphenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile
CID 21233115
2-amino-1',7-dimethyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile
CID 18886469
2-[(4R)-2-amino-3-cyano-7,7-dimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-1'-yl]acetic acid
CID 27308423
2'-amino-6-ethyl-9,11,11-trimethyl-2,5'-dioxo-9-phenylspiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-3,4'-7,8-dihydro-6H-chromene]-3'-carbonitrile
CID 4889879

Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carbonitrile?
The IUPAC name of (4R)-2-amino-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carbonitrile (CID 704946) is (4R)-2-amino-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carbonitrile.
What is the SMILES notation for (4R)-2-amino-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carbonitrile?
The canonical SMILES for (4R)-2-amino-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carbonitrile is CN1C(=O)[C@@]2(C(C#N)=C(N)OC3=C2C(=O)CCC3)c2ccccc21.
What is the InChIKey of (4R)-2-amino-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carbonitrile?
The InChIKey is VXTHFLXWLSPJSP-GOSISDBHSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-21-12-6-3-2-5-10(12)18(17(21)23)11(9-19)16(20)24-14-8-4-7-13(22)15(14)18/h2-3,5-6H,4,7-8,20H2,1H3/t18-/m1/s1.
What are the key properties of (4R)-2-amino-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carbonitrile?
(4R)-2-amino-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carbonitrile has a molecular weight of 321.34 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carbonitrile is sourced from PubChem (CID 704946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).