(3R)-2'-amino-7-ethyl-2-oxospiro[1H-indole-3,4'-6,7-dihydro-5H-pyrano[2,3-b]pyrrole]-3'-carbonitrile

C17H16N4O2 — CID 698033

IUPAC(3R)-2'-amino-7-ethyl-2-oxospiro[1H-indole-3,4'-6,7-dihydro-5H-pyrano[2,3-b]pyrrole]-3'-carbonitrile
SMILESCCc1cccc2c1NC(=O)[C@]21C(C#N)=C(N)OC2=C1CCN2
InChIInChI=1S/C17H16N4O2/c1-2-9-4-3-5-10-13(9)21-16(22)17(10)11-6-7-20-15(11)23-14(19)12(17)8-18/h3-5,20H,2,6-7,19H2,1H3,(H,21,22)/t17-/m1/s1
InChIKeyHMYVJTSRYPTOQW-QGZVFWFLSA-N
MW308.34 g/mol
LogP1.37
Rot. Bonds1

About (3R)-2'-amino-7-ethyl-2-oxospiro[1H-indole-3,4'-6,7-dihydro-5H-pyrano[2,3-b]pyrrole]-3'-carbonitrile

(3R)-2'-amino-7-ethyl-2-oxospiro[1H-indole-3,4'-6,7-dihydro-5H-pyrano[2,3-b]pyrrole]-3'-carbonitrile (PubChem CID 698033) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is (3R)-2'-amino-7-ethyl-2-oxospiro[1H-indole-3,4'-6,7-dihydro-5H-pyrano[2,3-b]pyrrole]-3'-carbonitrile.

Molecular Properties

Compound Name(3R)-2'-amino-7-ethyl-2-oxospiro[1H-indole-3,4'-6,7-dihydro-5H-pyrano[2,3-b]pyrrole]-3'-carbonitrile
PubChem CID698033
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name(3R)-2'-amino-7-ethyl-2-oxospiro[1H-indole-3,4'-6,7-dihydro-5H-pyrano[2,3-b]pyrrole]-3'-carbonitrile
SMILESCCc1cccc2c1NC(=O)[C@]21C(C#N)=C(N)OC2=C1CCN2
InChIInChI=1S/C17H16N4O2/c1-2-9-4-3-5-10-13(9)21-16(22)17(10)11-6-7-20-15(11)23-14(19)12(17)8-18/h3-5,20H,2,6-7,19H2,1H3,(H,21,22)/t17-/m1/s1
InChIKeyHMYVJTSRYPTOQW-QGZVFWFLSA-N
XLogP1.37
TPSA100.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2'-amino-5-methyl-2-oxospiro[1H-indole-3,4'-6,7-dihydro-5H-pyrano[2,3-b]pyrrole]-3'-carbonitrile
CID 4047372
6'-amino-7-ethyl-3'-methyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
CID 2961171
methyl (3S)-6'-amino-5'-cyano-2'-ethyl-7-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
CID 7311052
2'-amino-5'-benzoyl-6',7-dimethyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carbonitrile
CID 155670113
(3S)-2'-amino-7-fluoro-2,5',10'-trioxospiro[1H-indole-3,4'-benzo[g]chromene]-3'-carbonitrile
CID 102336786
7'-amino-7-chloro-2,2',4'-trioxospiro[1H-indole-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile
CID 172994895
7'-amino-7-chloro-2,4'-dioxo-2'-sulfanylidenespiro[1H-indole-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile
CID 172994898
(3R)-2'-amino-6'-ethyl-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile
CID 41031849
ethyl 6'-amino-5'-cyano-2',4-dimethyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
CID 11838705
2'-amino-8',9'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile
CID 134834162
ethyl 6'-amino-5'-cyano-2-oxo-2'-propylspiro[1H-indole-3,4'-pyran]-3'-carboxylate
CID 2841243
(4S)-6-amino-1'-ethyl-3-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 942983

Frequently Asked Questions

What is the IUPAC name of (3R)-2'-amino-7-ethyl-2-oxospiro[1H-indole-3,4'-6,7-dihydro-5H-pyrano[2,3-b]pyrrole]-3'-carbonitrile?
The IUPAC name of (3R)-2'-amino-7-ethyl-2-oxospiro[1H-indole-3,4'-6,7-dihydro-5H-pyrano[2,3-b]pyrrole]-3'-carbonitrile (CID 698033) is (3R)-2'-amino-7-ethyl-2-oxospiro[1H-indole-3,4'-6,7-dihydro-5H-pyrano[2,3-b]pyrrole]-3'-carbonitrile.
What is the SMILES notation for (3R)-2'-amino-7-ethyl-2-oxospiro[1H-indole-3,4'-6,7-dihydro-5H-pyrano[2,3-b]pyrrole]-3'-carbonitrile?
The canonical SMILES for (3R)-2'-amino-7-ethyl-2-oxospiro[1H-indole-3,4'-6,7-dihydro-5H-pyrano[2,3-b]pyrrole]-3'-carbonitrile is CCc1cccc2c1NC(=O)[C@]21C(C#N)=C(N)OC2=C1CCN2.
What is the InChIKey of (3R)-2'-amino-7-ethyl-2-oxospiro[1H-indole-3,4'-6,7-dihydro-5H-pyrano[2,3-b]pyrrole]-3'-carbonitrile?
The InChIKey is HMYVJTSRYPTOQW-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-2-9-4-3-5-10-13(9)21-16(22)17(10)11-6-7-20-15(11)23-14(19)12(17)8-18/h3-5,20H,2,6-7,19H2,1H3,(H,21,22)/t17-/m1/s1.
What are the key properties of (3R)-2'-amino-7-ethyl-2-oxospiro[1H-indole-3,4'-6,7-dihydro-5H-pyrano[2,3-b]pyrrole]-3'-carbonitrile?
(3R)-2'-amino-7-ethyl-2-oxospiro[1H-indole-3,4'-6,7-dihydro-5H-pyrano[2,3-b]pyrrole]-3'-carbonitrile has a molecular weight of 308.34 g/mol, XLogP of 1.37, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2'-amino-7-ethyl-2-oxospiro[1H-indole-3,4'-6,7-dihydro-5H-pyrano[2,3-b]pyrrole]-3'-carbonitrile is sourced from PubChem (CID 698033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).