(3S)-2'-amino-6'-(hydroxymethyl)-2,8'-dioxospiro[1H-indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile

C17H11N3O5 — CID 715947

IUPAC(3S)-2'-amino-6'-(hydroxymethyl)-2,8'-dioxospiro[1H-indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile
SMILESN#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C17H11N3O5/c18-6-10-15(19)25-13-12(22)5-8(7-21)24-14(13)17(10)9-3-1-2-4-11(9)20-16(17)23/h1-5,21H,7,19H2,(H,20,23)/t17-/m0/s1
InChIKeyQIDLYGWVVFGDRV-KRWDZBQOSA-N
MW337.29 g/mol
LogP0.46
Rot. Bonds1

About (3S)-2'-amino-6'-(hydroxymethyl)-2,8'-dioxospiro[1H-indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile

(3S)-2'-amino-6'-(hydroxymethyl)-2,8'-dioxospiro[1H-indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile (PubChem CID 715947) has the molecular formula C17H11N3O5 and a molecular weight of 337.29 g/mol. Its IUPAC name is (3S)-2'-amino-6'-(hydroxymethyl)-2,8'-dioxospiro[1H-indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile.

Molecular Properties

Compound Name(3S)-2'-amino-6'-(hydroxymethyl)-2,8'-dioxospiro[1H-indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile
PubChem CID715947
Molecular FormulaC17H11N3O5
Molecular Weight337.29 g/mol
Exact Mass337.07
IUPAC Name(3S)-2'-amino-6'-(hydroxymethyl)-2,8'-dioxospiro[1H-indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile
SMILESN#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C17H11N3O5/c18-6-10-15(19)25-13-12(22)5-8(7-21)24-14(13)17(10)9-3-1-2-4-11(9)20-16(17)23/h1-5,21H,7,19H2,(H,20,23)/t17-/m0/s1
InChIKeyQIDLYGWVVFGDRV-KRWDZBQOSA-N
XLogP0.46
TPSA138.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (3S)-2'-amino-6'-(hydroxymethyl)-2,8'-dioxospiro[1H-indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile 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

ethyl (3S)-5'-amino-6'-cyano-2'-methyl-2-oxospiro[1H-indole-3,7'-thieno[3,2-b]pyran]-3'-carboxylate
CID 7335787
2'-amino-8',9'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile
CID 134834162
2'-amino-6'-(hydroxymethyl)-2,8'-dioxospiro[3a,7a-dihydro-1H-indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile
CID 18580956
2'-amino-6'-(hydroxymethyl)-1-methyl-8'-oxospiro[piperidin-1-ium-4,4'-pyrano[3,2-b]pyran]-3'-carbonitrile
CID 7233188
5'-amino-2-oxospiro[1H-indole-3,3'-6-oxa-15,26-diazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2(7),4,8,10,12,14,16,18,20,22,24-dodecaene]-4'-carbonitrile
CID 102203715
(3S)-2'-amino-8',10'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile
CID 98609919
(3S)-2'-amino-5-chloro-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile
CID 41009569
ethyl 6'-amino-5'-cyano-2-oxo-2'-propylspiro[1H-indole-3,4'-pyran]-3'-carboxylate
CID 2841243
(3R)-2'-amino-6'-ethyl-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile
CID 41031849
(3S)-6'-amino-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
CID 1036077
(3S)-2'-amino-6'-(furan-2-ylmethyl)-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile
CID 40963609
6'-amino-2-oxo-3'-(phenylsulfanylmethyl)spiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
CID 2961995

Frequently Asked Questions

What is the IUPAC name of (3S)-2'-amino-6'-(hydroxymethyl)-2,8'-dioxospiro[1H-indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile?
The IUPAC name of (3S)-2'-amino-6'-(hydroxymethyl)-2,8'-dioxospiro[1H-indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile (CID 715947) is (3S)-2'-amino-6'-(hydroxymethyl)-2,8'-dioxospiro[1H-indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile.
What is the SMILES notation for (3S)-2'-amino-6'-(hydroxymethyl)-2,8'-dioxospiro[1H-indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile?
The canonical SMILES for (3S)-2'-amino-6'-(hydroxymethyl)-2,8'-dioxospiro[1H-indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile is N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@]12C(=O)Nc1ccccc12.
What is the InChIKey of (3S)-2'-amino-6'-(hydroxymethyl)-2,8'-dioxospiro[1H-indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile?
The InChIKey is QIDLYGWVVFGDRV-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H11N3O5/c18-6-10-15(19)25-13-12(22)5-8(7-21)24-14(13)17(10)9-3-1-2-4-11(9)20-16(17)23/h1-5,21H,7,19H2,(H,20,23)/t17-/m0/s1.
What are the key properties of (3S)-2'-amino-6'-(hydroxymethyl)-2,8'-dioxospiro[1H-indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile?
(3S)-2'-amino-6'-(hydroxymethyl)-2,8'-dioxospiro[1H-indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile has a molecular weight of 337.29 g/mol, XLogP of 0.46, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2'-amino-6'-(hydroxymethyl)-2,8'-dioxospiro[1H-indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile is sourced from PubChem (CID 715947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).