(3R,3'R)-3'-methylspiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one

C19H17N3O — CID 928519

IUPAC(3R,3'R)-3'-methylspiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one
SMILESC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)Nc1ccccc12
InChIInChI=1S/C19H17N3O/c1-11-10-13-12-6-2-4-8-15(12)20-17(13)19(22-11)14-7-3-5-9-16(14)21-18(19)23/h2-9,11,20,22H,10H2,1H3,(H,21,23)/t11-,19-/m1/s1
InChIKeyBVTYYZQREOKDJA-NSPYISDASA-N
MW303.37 g/mol
LogP2.90
Rot. Bonds

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

(3R,3'R)-3'-methylspiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one (PubChem CID 928519) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is (3R,3'R)-3'-methylspiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one.

Molecular Properties

Compound Name(3R,3'R)-3'-methylspiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one
PubChem CID928519
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name(3R,3'R)-3'-methylspiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one
SMILESC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)Nc1ccccc12
InChIInChI=1S/C19H17N3O/c1-11-10-13-12-6-2-4-8-15(12)20-17(13)19(22-11)14-7-3-5-9-16(14)21-18(19)23/h2-9,11,20,22H,10H2,1H3,(H,21,23)/t11-,19-/m1/s1
InChIKeyBVTYYZQREOKDJA-NSPYISDASA-N
XLogP2.90
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]
CID 158910339
(3R)-5-chlorospiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one
CID 70667729
acetic acid;spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]-3-carboxylic acid
CID 44667494
(3R)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]-3-carboxylic acid
CID 6919140
methyl (3R)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]-3-carboxylate
CID 51671010
(1R,3R)-1,3-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 670862
CID 146949857
CID 146949857
(1R,12S,18S)-1-chloro-3,14,19-triazapentacyclo[10.6.1.02,10.04,9.014,18]nonadeca-2(10),4,6,8-tetraen-13-one
CID 122233388
acetic acid;methyl (3S)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane]-3-carboxylate
CID 52993766
3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one
CID 4555359
spiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione
CID 15554858
(3S)-1',2'-bis(1H-indol-3-yl)-3',5'-dioxospiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-cyclopentene]-3-carboxylic acid
CID 11203291

Frequently Asked Questions

What is the IUPAC name of (3R,3'R)-3'-methylspiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one?
The IUPAC name of (3R,3'R)-3'-methylspiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one (CID 928519) is (3R,3'R)-3'-methylspiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one.
What is the SMILES notation for (3R,3'R)-3'-methylspiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one?
The canonical SMILES for (3R,3'R)-3'-methylspiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one is C[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)Nc1ccccc12.
What is the InChIKey of (3R,3'R)-3'-methylspiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one?
The InChIKey is BVTYYZQREOKDJA-NSPYISDASA-N. The full InChI is InChI=1S/C19H17N3O/c1-11-10-13-12-6-2-4-8-15(12)20-17(13)19(22-11)14-7-3-5-9-16(14)21-18(19)23/h2-9,11,20,22H,10H2,1H3,(H,21,23)/t11-,19-/m1/s1.
What are the key properties of (3R,3'R)-3'-methylspiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one?
(3R,3'R)-3'-methylspiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one has a molecular weight of 303.37 g/mol, XLogP of 2.90, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3'R)-3'-methylspiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one is sourced from PubChem (CID 928519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).