10',10'-dimethyl-7-prop-1-en-2-ylspiro[1H-furo[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,2',14'-trione

C26H27N3O4 — CID 163110112

IUPAC10',10'-dimethyl-7-prop-1-en-2-ylspiro[1H-furo[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,2',14'-trione
SMILESC=C(C)c1cc2c3c(ccc2o1)C1(CC24NC(=O)C5(CCCN5C2=O)CC4C1(C)C)C(=O)N3
InChIInChI=1S/C26H27N3O4/c1-13(2)17-10-14-16(33-17)7-6-15-19(14)27-21(31)25(15)12-26-18(23(25,3)4)11-24(20(30)28-26)8-5-9-29(24)22(26)32/h6-7,10,18H,1,5,8-9,11-12H2,2-4H3,(H,27,31)(H,28,30)
InChIKeyJLNGNQBRPFMFRS-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.34
Rot. Bonds1

About 10',10'-dimethyl-7-prop-1-en-2-ylspiro[1H-furo[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,2',14'-trione

10',10'-dimethyl-7-prop-1-en-2-ylspiro[1H-furo[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,2',14'-trione (PubChem CID 163110112) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is 10',10'-dimethyl-7-prop-1-en-2-ylspiro[1H-furo[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,2',14'-trione.

Molecular Properties

Compound Name10',10'-dimethyl-7-prop-1-en-2-ylspiro[1H-furo[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,2',14'-trione
PubChem CID163110112
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name10',10'-dimethyl-7-prop-1-en-2-ylspiro[1H-furo[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,2',14'-trione
SMILESC=C(C)c1cc2c3c(ccc2o1)C1(CC24NC(=O)C5(CCCN5C2=O)CC4C1(C)C)C(=O)N3
InChIInChI=1S/C26H27N3O4/c1-13(2)17-10-14-16(33-17)7-6-15-19(14)27-21(31)25(15)12-26-18(23(25,3)4)11-24(20(30)28-26)8-5-9-29(24)22(26)32/h6-7,10,18H,1,5,8-9,11-12H2,2-4H3,(H,27,31)(H,28,30)
InChIKeyJLNGNQBRPFMFRS-UHFFFAOYSA-N
XLogP3.34
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 10',10'-dimethyl-7-prop-1-en-2-ylspiro[1H-furo[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,2',14'-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10',10'-dimethyl-7-prop-1-en-2-ylspiro[1H-furo[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,2',14'-trione?
The IUPAC name of 10',10'-dimethyl-7-prop-1-en-2-ylspiro[1H-furo[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,2',14'-trione (CID 163110112) is 10',10'-dimethyl-7-prop-1-en-2-ylspiro[1H-furo[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,2',14'-trione.
What is the SMILES notation for 10',10'-dimethyl-7-prop-1-en-2-ylspiro[1H-furo[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,2',14'-trione?
The canonical SMILES for 10',10'-dimethyl-7-prop-1-en-2-ylspiro[1H-furo[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,2',14'-trione is C=C(C)c1cc2c3c(ccc2o1)C1(CC24NC(=O)C5(CCCN5C2=O)CC4C1(C)C)C(=O)N3.
What is the InChIKey of 10',10'-dimethyl-7-prop-1-en-2-ylspiro[1H-furo[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,2',14'-trione?
The InChIKey is JLNGNQBRPFMFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-13(2)17-10-14-16(33-17)7-6-15-19(14)27-21(31)25(15)12-26-18(23(25,3)4)11-24(20(30)28-26)8-5-9-29(24)22(26)32/h6-7,10,18H,1,5,8-9,11-12H2,2-4H3,(H,27,31)(H,28,30).
What are the key properties of 10',10'-dimethyl-7-prop-1-en-2-ylspiro[1H-furo[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,2',14'-trione?
10',10'-dimethyl-7-prop-1-en-2-ylspiro[1H-furo[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,2',14'-trione has a molecular weight of 445.52 g/mol, XLogP of 3.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10',10'-dimethyl-7-prop-1-en-2-ylspiro[1H-furo[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,2',14'-trione is sourced from PubChem (CID 163110112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).