2'-amino-6-methoxy-7',9,11,11-tetramethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile

C24H21N3O5 — CID 664667

IUPAC2'-amino-6-methoxy-7',9,11,11-tetramethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile
SMILESCOc1cc2c3c(c1)C1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)Oc2cc(C)oc(=O)c21
InChIInChI=1S/C24H21N3O5/c1-11-9-23(3,4)27-19-14(11)7-13(30-5)8-15(19)24(22(27)29)16(10-25)20(26)32-17-6-12(2)31-21(28)18(17)24/h6-9H,26H2,1-5H3
InChIKeyDJNLPGCLERZLKF-UHFFFAOYSA-N
MW431.45 g/mol
LogP2.87
Rot. Bonds1

About 2'-amino-6-methoxy-7',9,11,11-tetramethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile

2'-amino-6-methoxy-7',9,11,11-tetramethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile (PubChem CID 664667) has the molecular formula C24H21N3O5 and a molecular weight of 431.45 g/mol. Its IUPAC name is 2'-amino-6-methoxy-7',9,11,11-tetramethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile.

Molecular Properties

Compound Name2'-amino-6-methoxy-7',9,11,11-tetramethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile
PubChem CID664667
Molecular FormulaC24H21N3O5
Molecular Weight431.45 g/mol
Exact Mass431.15
IUPAC Name2'-amino-6-methoxy-7',9,11,11-tetramethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile
SMILESCOc1cc2c3c(c1)C1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)Oc2cc(C)oc(=O)c21
InChIInChI=1S/C24H21N3O5/c1-11-9-23(3,4)27-19-14(11)7-13(30-5)8-15(19)24(22(27)29)16(10-25)20(26)32-17-6-12(2)31-21(28)18(17)24/h6-9H,26H2,1-5H3
InChIKeyDJNLPGCLERZLKF-UHFFFAOYSA-N
XLogP2.87
TPSA118.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2'-amino-6-methoxy-7',9,11,11-tetramethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2'-amino-6-methoxy-7',9,11,11-tetramethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile?
The IUPAC name of 2'-amino-6-methoxy-7',9,11,11-tetramethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile (CID 664667) is 2'-amino-6-methoxy-7',9,11,11-tetramethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile.
What is the SMILES notation for 2'-amino-6-methoxy-7',9,11,11-tetramethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile?
The canonical SMILES for 2'-amino-6-methoxy-7',9,11,11-tetramethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile is COc1cc2c3c(c1)C1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)Oc2cc(C)oc(=O)c21.
What is the InChIKey of 2'-amino-6-methoxy-7',9,11,11-tetramethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile?
The InChIKey is DJNLPGCLERZLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5/c1-11-9-23(3,4)27-19-14(11)7-13(30-5)8-15(19)24(22(27)29)16(10-25)20(26)32-17-6-12(2)31-21(28)18(17)24/h6-9H,26H2,1-5H3.
What are the key properties of 2'-amino-6-methoxy-7',9,11,11-tetramethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile?
2'-amino-6-methoxy-7',9,11,11-tetramethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile has a molecular weight of 431.45 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-6-methoxy-7',9,11,11-tetramethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile is sourced from PubChem (CID 664667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).