(1R)-6-methyl-1'-prop-2-enylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]-2'-one

C22H21N3O — CID 28592883

IUPAC(1R)-6-methyl-1'-prop-2-enylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]-2'-one
SMILESC=CCN1C(=O)[C@@]2(NCCc3c2[nH]c2ccc(C)cc32)c2ccccc21
InChIInChI=1S/C22H21N3O/c1-3-12-25-19-7-5-4-6-17(19)22(21(25)26)20-15(10-11-23-22)16-13-14(2)8-9-18(16)24-20/h3-9,13,23-24H,1,10-12H2,2H3/t22-/m1/s1
InChIKeySDAUBHXFSFYAAR-JOCHJYFZSA-N
MW343.43 g/mol
LogP3.40
Rot. Bonds2

About (1R)-6-methyl-1'-prop-2-enylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]-2'-one

(1R)-6-methyl-1'-prop-2-enylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]-2'-one (PubChem CID 28592883) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is (1R)-6-methyl-1'-prop-2-enylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]-2'-one.

Molecular Properties

Compound Name(1R)-6-methyl-1'-prop-2-enylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]-2'-one
PubChem CID28592883
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name(1R)-6-methyl-1'-prop-2-enylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]-2'-one
SMILESC=CCN1C(=O)[C@@]2(NCCc3c2[nH]c2ccc(C)cc32)c2ccccc21
InChIInChI=1S/C22H21N3O/c1-3-12-25-19-7-5-4-6-17(19)22(21(25)26)20-15(10-11-23-22)16-13-14(2)8-9-18(16)24-20/h3-9,13,23-24H,1,10-12H2,2H3/t22-/m1/s1
InChIKeySDAUBHXFSFYAAR-JOCHJYFZSA-N
XLogP3.40
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-6-methyl-1'-prop-2-enylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]-2'-one?
The IUPAC name of (1R)-6-methyl-1'-prop-2-enylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]-2'-one (CID 28592883) is (1R)-6-methyl-1'-prop-2-enylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]-2'-one.
What is the SMILES notation for (1R)-6-methyl-1'-prop-2-enylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]-2'-one?
The canonical SMILES for (1R)-6-methyl-1'-prop-2-enylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]-2'-one is C=CCN1C(=O)[C@@]2(NCCc3c2[nH]c2ccc(C)cc32)c2ccccc21.
What is the InChIKey of (1R)-6-methyl-1'-prop-2-enylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]-2'-one?
The InChIKey is SDAUBHXFSFYAAR-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H21N3O/c1-3-12-25-19-7-5-4-6-17(19)22(21(25)26)20-15(10-11-23-22)16-13-14(2)8-9-18(16)24-20/h3-9,13,23-24H,1,10-12H2,2H3/t22-/m1/s1.
What are the key properties of (1R)-6-methyl-1'-prop-2-enylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]-2'-one?
(1R)-6-methyl-1'-prop-2-enylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]-2'-one has a molecular weight of 343.43 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-methyl-1'-prop-2-enylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]-2'-one is sourced from PubChem (CID 28592883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).