propan-2-yl 5'-acetyl-2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate

C19H20N2O5 — CID 2961861

IUPACpropan-2-yl 5'-acetyl-2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
SMILESCC(=O)C1=C(C)OC(N)=C(C(=O)OC(C)C)C12C(=O)Nc1ccccc12
InChIInChI=1S/C19H20N2O5/c1-9(2)25-17(23)15-16(20)26-11(4)14(10(3)22)19(15)12-7-5-6-8-13(12)21-18(19)24/h5-9H,20H2,1-4H3,(H,21,24)
InChIKeyFAIVZCRUPGPMRK-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.89
Rot. Bonds3

About propan-2-yl 5'-acetyl-2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate

propan-2-yl 5'-acetyl-2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate (PubChem CID 2961861) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is propan-2-yl 5'-acetyl-2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5'-acetyl-2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
PubChem CID2961861
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Namepropan-2-yl 5'-acetyl-2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
SMILESCC(=O)C1=C(C)OC(N)=C(C(=O)OC(C)C)C12C(=O)Nc1ccccc12
InChIInChI=1S/C19H20N2O5/c1-9(2)25-17(23)15-16(20)26-11(4)14(10(3)22)19(15)12-7-5-6-8-13(12)21-18(19)24/h5-9H,20H2,1-4H3,(H,21,24)
InChIKeyFAIVZCRUPGPMRK-UHFFFAOYSA-N
XLogP1.89
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5'-acetyl-2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate?
The IUPAC name of propan-2-yl 5'-acetyl-2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate (CID 2961861) is propan-2-yl 5'-acetyl-2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate.
What is the SMILES notation for propan-2-yl 5'-acetyl-2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate?
The canonical SMILES for propan-2-yl 5'-acetyl-2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate is CC(=O)C1=C(C)OC(N)=C(C(=O)OC(C)C)C12C(=O)Nc1ccccc12.
What is the InChIKey of propan-2-yl 5'-acetyl-2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate?
The InChIKey is FAIVZCRUPGPMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-9(2)25-17(23)15-16(20)26-11(4)14(10(3)22)19(15)12-7-5-6-8-13(12)21-18(19)24/h5-9H,20H2,1-4H3,(H,21,24).
What are the key properties of propan-2-yl 5'-acetyl-2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate?
propan-2-yl 5'-acetyl-2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate has a molecular weight of 356.38 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5'-acetyl-2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate is sourced from PubChem (CID 2961861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).