3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-hydroxy-4-(6-phenylmethoxy-1H-indol-3-yl)-1,2-dihydropyrrol-5-one

C30H25N3O3 — CID 123730681

IUPAC3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-hydroxy-4-(6-phenylmethoxy-1H-indol-3-yl)-1,2-dihydropyrrol-5-one
SMILESO=C1NC(O)C(c2cn3c4c(cccc24)CCC3)=C1c1c[nH]c2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C30H25N3O3/c34-29-26(23-15-31-25-14-20(11-12-21(23)25)36-17-18-6-2-1-3-7-18)27(30(35)32-29)24-16-33-13-5-9-19-8-4-10-22(24)28(19)33/h1-4,6-8,10-12,14-16,30-31,35H,5,9,13,17H2,(H,32,34)
InChIKeyVLAGEDRMFJQGSQ-UHFFFAOYSA-N
MW475.55 g/mol
LogP5.01
Rot. Bonds5

About 3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-hydroxy-4-(6-phenylmethoxy-1H-indol-3-yl)-1,2-dihydropyrrol-5-one

3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-hydroxy-4-(6-phenylmethoxy-1H-indol-3-yl)-1,2-dihydropyrrol-5-one (PubChem CID 123730681) has the molecular formula C30H25N3O3 and a molecular weight of 475.55 g/mol. Its IUPAC name is 3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-hydroxy-4-(6-phenylmethoxy-1H-indol-3-yl)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-hydroxy-4-(6-phenylmethoxy-1H-indol-3-yl)-1,2-dihydropyrrol-5-one
PubChem CID123730681
Molecular FormulaC30H25N3O3
Molecular Weight475.55 g/mol
Exact Mass475.19
IUPAC Name3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-hydroxy-4-(6-phenylmethoxy-1H-indol-3-yl)-1,2-dihydropyrrol-5-one
SMILESO=C1NC(O)C(c2cn3c4c(cccc24)CCC3)=C1c1c[nH]c2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C30H25N3O3/c34-29-26(23-15-31-25-14-20(11-12-21(23)25)36-17-18-6-2-1-3-7-18)27(30(35)32-29)24-16-33-13-5-9-19-8-4-10-22(24)28(19)33/h1-4,6-8,10-12,14-16,30-31,35H,5,9,13,17H2,(H,32,34)
InChIKeyVLAGEDRMFJQGSQ-UHFFFAOYSA-N
XLogP5.01
TPSA79.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.55
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-hydroxy-4-(6-phenylmethoxy-1H-indol-3-yl)-1,2-dihydropyrrol-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-hydroxy-4-(6-phenylmethoxy-1H-indol-3-yl)-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-hydroxy-4-(6-phenylmethoxy-1H-indol-3-yl)-1,2-dihydropyrrol-5-one (CID 123730681) is 3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-hydroxy-4-(6-phenylmethoxy-1H-indol-3-yl)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-hydroxy-4-(6-phenylmethoxy-1H-indol-3-yl)-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-hydroxy-4-(6-phenylmethoxy-1H-indol-3-yl)-1,2-dihydropyrrol-5-one is O=C1NC(O)C(c2cn3c4c(cccc24)CCC3)=C1c1c[nH]c2cc(OCc3ccccc3)ccc12.
What is the InChIKey of 3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-hydroxy-4-(6-phenylmethoxy-1H-indol-3-yl)-1,2-dihydropyrrol-5-one?
The InChIKey is VLAGEDRMFJQGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O3/c34-29-26(23-15-31-25-14-20(11-12-21(23)25)36-17-18-6-2-1-3-7-18)27(30(35)32-29)24-16-33-13-5-9-19-8-4-10-22(24)28(19)33/h1-4,6-8,10-12,14-16,30-31,35H,5,9,13,17H2,(H,32,34).
What are the key properties of 3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-hydroxy-4-(6-phenylmethoxy-1H-indol-3-yl)-1,2-dihydropyrrol-5-one?
3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-hydroxy-4-(6-phenylmethoxy-1H-indol-3-yl)-1,2-dihydropyrrol-5-one has a molecular weight of 475.55 g/mol, XLogP of 5.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-hydroxy-4-(6-phenylmethoxy-1H-indol-3-yl)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 123730681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).