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

C16H14N4O2 — CID 4047372

IUPAC2'-amino-5-methyl-2-oxospiro[1H-indole-3,4'-6,7-dihydro-5H-pyrano[2,3-b]pyrrole]-3'-carbonitrile
SMILESCc1ccc2c(c1)C1(C(=O)N2)C(C#N)=C(N)OC2=C1CCN2
InChIInChI=1S/C16H14N4O2/c1-8-2-3-12-10(6-8)16(15(21)20-12)9-4-5-19-14(9)22-13(18)11(16)7-17/h2-3,6,19H,4-5,18H2,1H3,(H,20,21)
InChIKeyOKOSTLVUIWCGJO-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.11
Rot. Bonds

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

2'-amino-5-methyl-2-oxospiro[1H-indole-3,4'-6,7-dihydro-5H-pyrano[2,3-b]pyrrole]-3'-carbonitrile (PubChem CID 4047372) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2'-amino-5-methyl-2-oxospiro[1H-indole-3,4'-6,7-dihydro-5H-pyrano[2,3-b]pyrrole]-3'-carbonitrile.

Molecular Properties

Compound Name2'-amino-5-methyl-2-oxospiro[1H-indole-3,4'-6,7-dihydro-5H-pyrano[2,3-b]pyrrole]-3'-carbonitrile
PubChem CID4047372
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name2'-amino-5-methyl-2-oxospiro[1H-indole-3,4'-6,7-dihydro-5H-pyrano[2,3-b]pyrrole]-3'-carbonitrile
SMILESCc1ccc2c(c1)C1(C(=O)N2)C(C#N)=C(N)OC2=C1CCN2
InChIInChI=1S/C16H14N4O2/c1-8-2-3-12-10(6-8)16(15(21)20-12)9-4-5-19-14(9)22-13(18)11(16)7-17/h2-3,6,19H,4-5,18H2,1H3,(H,20,21)
InChIKeyOKOSTLVUIWCGJO-UHFFFAOYSA-N
XLogP1.11
TPSA100.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2'-amino-5-methyl-2-oxospiro[1H-indole-3,4'-6,7-dihydro-5H-pyrano[2,3-b]pyrrole]-3'-carbonitrile?
The IUPAC name of 2'-amino-5-methyl-2-oxospiro[1H-indole-3,4'-6,7-dihydro-5H-pyrano[2,3-b]pyrrole]-3'-carbonitrile (CID 4047372) is 2'-amino-5-methyl-2-oxospiro[1H-indole-3,4'-6,7-dihydro-5H-pyrano[2,3-b]pyrrole]-3'-carbonitrile.
What is the SMILES notation for 2'-amino-5-methyl-2-oxospiro[1H-indole-3,4'-6,7-dihydro-5H-pyrano[2,3-b]pyrrole]-3'-carbonitrile?
The canonical SMILES for 2'-amino-5-methyl-2-oxospiro[1H-indole-3,4'-6,7-dihydro-5H-pyrano[2,3-b]pyrrole]-3'-carbonitrile is Cc1ccc2c(c1)C1(C(=O)N2)C(C#N)=C(N)OC2=C1CCN2.
What is the InChIKey of 2'-amino-5-methyl-2-oxospiro[1H-indole-3,4'-6,7-dihydro-5H-pyrano[2,3-b]pyrrole]-3'-carbonitrile?
The InChIKey is OKOSTLVUIWCGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-8-2-3-12-10(6-8)16(15(21)20-12)9-4-5-19-14(9)22-13(18)11(16)7-17/h2-3,6,19H,4-5,18H2,1H3,(H,20,21).
What are the key properties of 2'-amino-5-methyl-2-oxospiro[1H-indole-3,4'-6,7-dihydro-5H-pyrano[2,3-b]pyrrole]-3'-carbonitrile?
2'-amino-5-methyl-2-oxospiro[1H-indole-3,4'-6,7-dihydro-5H-pyrano[2,3-b]pyrrole]-3'-carbonitrile has a molecular weight of 294.31 g/mol, XLogP of 1.11, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-5-methyl-2-oxospiro[1H-indole-3,4'-6,7-dihydro-5H-pyrano[2,3-b]pyrrole]-3'-carbonitrile is sourced from PubChem (CID 4047372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).