(3S)-3-(2-azidoethyl)-3-(5-methyl-2,3-dihydroindol-1-yl)-1H-indol-2-one

C19H19N5O — CID 102129719

IUPAC(3S)-3-(2-azidoethyl)-3-(5-methyl-2,3-dihydroindol-1-yl)-1H-indol-2-one
SMILESCc1ccc2c(c1)CCN2[C@]1(CCN=[N+]=[N-])C(=O)Nc2ccccc21
InChIInChI=1S/C19H19N5O/c1-13-6-7-17-14(12-13)8-11-24(17)19(9-10-21-23-20)15-4-2-3-5-16(15)22-18(19)25/h2-7,12H,8-11H2,1H3,(H,22,25)/t19-/m0/s1
InChIKeyWEAFIRFBVGSPSF-IBGZPJMESA-N
MW333.40 g/mol
LogP3.91
Rot. Bonds4

About (3S)-3-(2-azidoethyl)-3-(5-methyl-2,3-dihydroindol-1-yl)-1H-indol-2-one

(3S)-3-(2-azidoethyl)-3-(5-methyl-2,3-dihydroindol-1-yl)-1H-indol-2-one (PubChem CID 102129719) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is (3S)-3-(2-azidoethyl)-3-(5-methyl-2,3-dihydroindol-1-yl)-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-(2-azidoethyl)-3-(5-methyl-2,3-dihydroindol-1-yl)-1H-indol-2-one
PubChem CID102129719
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name(3S)-3-(2-azidoethyl)-3-(5-methyl-2,3-dihydroindol-1-yl)-1H-indol-2-one
SMILESCc1ccc2c(c1)CCN2[C@]1(CCN=[N+]=[N-])C(=O)Nc2ccccc21
InChIInChI=1S/C19H19N5O/c1-13-6-7-17-14(12-13)8-11-24(17)19(9-10-21-23-20)15-4-2-3-5-16(15)22-18(19)25/h2-7,12H,8-11H2,1H3,(H,22,25)/t19-/m0/s1
InChIKeyWEAFIRFBVGSPSF-IBGZPJMESA-N
XLogP3.91
TPSA81.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-azido-3-(4-methylphenyl)-1H-indol-2-one
CID 138970480
2'-(azidomethyl)spiro[1H-indole-3,4'-oxolane]-2-one
CID 135325163
1-chloro-5-methyl-2,3-dihydroindole
CID 54202425
2-benzyl-8-methyl-10a-phenyl-1,3,4,10-tetrahydropyrazino[1,2-a]indole
CID 170032378
(3S)-3-methyl-3-(4-methylphenyl)-1H-indol-2-one
CID 102419415
1,6-dimethyl-2,3-dihydroindole
CID 59833304
3-[(3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-3-phenyl-1H-indol-2-one
CID 139845149
2-[1-(3-azidopropyl)-2,3-dihydroxy-5-methyl-2H-indol-3-yl]-1-(1H-indol-3-yl)ethanone
CID 134350742
1-iodo-5-methyl-2,3-dihydroindole
CID 134548249
3-(2,5-dimethylanilino)-2-oxo-1H-indole-3-carbonitrile
CID 3153365
(5S)-1-benzyl-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
CID 1425293
(5R)-1-benzyl-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
CID 1425291

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-azidoethyl)-3-(5-methyl-2,3-dihydroindol-1-yl)-1H-indol-2-one?
The IUPAC name of (3S)-3-(2-azidoethyl)-3-(5-methyl-2,3-dihydroindol-1-yl)-1H-indol-2-one (CID 102129719) is (3S)-3-(2-azidoethyl)-3-(5-methyl-2,3-dihydroindol-1-yl)-1H-indol-2-one.
What is the SMILES notation for (3S)-3-(2-azidoethyl)-3-(5-methyl-2,3-dihydroindol-1-yl)-1H-indol-2-one?
The canonical SMILES for (3S)-3-(2-azidoethyl)-3-(5-methyl-2,3-dihydroindol-1-yl)-1H-indol-2-one is Cc1ccc2c(c1)CCN2[C@]1(CCN=[N+]=[N-])C(=O)Nc2ccccc21.
What is the InChIKey of (3S)-3-(2-azidoethyl)-3-(5-methyl-2,3-dihydroindol-1-yl)-1H-indol-2-one?
The InChIKey is WEAFIRFBVGSPSF-IBGZPJMESA-N. The full InChI is InChI=1S/C19H19N5O/c1-13-6-7-17-14(12-13)8-11-24(17)19(9-10-21-23-20)15-4-2-3-5-16(15)22-18(19)25/h2-7,12H,8-11H2,1H3,(H,22,25)/t19-/m0/s1.
What are the key properties of (3S)-3-(2-azidoethyl)-3-(5-methyl-2,3-dihydroindol-1-yl)-1H-indol-2-one?
(3S)-3-(2-azidoethyl)-3-(5-methyl-2,3-dihydroindol-1-yl)-1H-indol-2-one has a molecular weight of 333.40 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-azidoethyl)-3-(5-methyl-2,3-dihydroindol-1-yl)-1H-indol-2-one is sourced from PubChem (CID 102129719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).