1'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]-2'-one

C19H17N3O — CID 667055

IUPAC1'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]-2'-one
SMILESCN1C(=O)C2(NCCc3c2[nH]c2ccccc32)c2ccccc21
InChIInChI=1S/C19H17N3O/c1-22-16-9-5-3-7-14(16)19(18(22)23)17-13(10-11-20-19)12-6-2-4-8-15(12)21-17/h2-9,20-21H,10-11H2,1H3
InChIKeyCLNDPGGCZWREBJ-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.53
Rot. Bonds

About 1'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]-2'-one

1'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]-2'-one (PubChem CID 667055) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 1'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]-2'-one
PubChem CID667055
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name1'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]-2'-one
SMILESCN1C(=O)C2(NCCc3c2[nH]c2ccccc32)c2ccccc21
InChIInChI=1S/C19H17N3O/c1-22-16-9-5-3-7-14(16)19(18(22)23)17-13(10-11-20-19)12-6-2-4-8-15(12)21-17/h2-9,20-21H,10-11H2,1H3
InChIKeyCLNDPGGCZWREBJ-UHFFFAOYSA-N
XLogP2.53
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]-2'-one?
The IUPAC name of 1'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]-2'-one (CID 667055) is 1'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]-2'-one.
What is the SMILES notation for 1'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]-2'-one?
The canonical SMILES for 1'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]-2'-one is CN1C(=O)C2(NCCc3c2[nH]c2ccccc32)c2ccccc21.
What is the InChIKey of 1'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]-2'-one?
The InChIKey is CLNDPGGCZWREBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-22-16-9-5-3-7-14(16)19(18(22)23)17-13(10-11-20-19)12-6-2-4-8-15(12)21-17/h2-9,20-21H,10-11H2,1H3.
What are the key properties of 1'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]-2'-one?
1'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]-2'-one has a molecular weight of 303.37 g/mol, XLogP of 2.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]-2'-one is sourced from PubChem (CID 667055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).