1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-b]pyridin-5-ium]

C19H21N2O+ — CID 102430118

IUPAC1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-b]pyridin-5-ium]
SMILESCN1c2ccccc2C(C)(C)C12C=Cc1c(ccc[n+]1C)O2
InChIInChI=1S/C19H21N2O/c1-18(2)14-8-5-6-9-15(14)21(4)19(18)12-11-16-17(22-19)10-7-13-20(16)3/h5-13H,1-4H3/q+1
InChIKeyRKLHPCOAGUXISE-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.04
Rot. Bonds

About 1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-b]pyridin-5-ium]

1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-b]pyridin-5-ium] (PubChem CID 102430118) has the molecular formula C19H21N2O+ and a molecular weight of 293.39 g/mol. Its IUPAC name is 1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-b]pyridin-5-ium].

Molecular Properties

Compound Name1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-b]pyridin-5-ium]
PubChem CID102430118
Molecular FormulaC19H21N2O+
Molecular Weight293.39 g/mol
Exact Mass293.16
IUPAC Name1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-b]pyridin-5-ium]
SMILESCN1c2ccccc2C(C)(C)C12C=Cc1c(ccc[n+]1C)O2
InChIInChI=1S/C19H21N2O/c1-18(2)14-8-5-6-9-15(14)21(4)19(18)12-11-16-17(22-19)10-7-13-20(16)3/h5-13H,1-4H3/q+1
InChIKeyRKLHPCOAGUXISE-UHFFFAOYSA-N
XLogP3.04
TPSA16.35 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

5,7-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]
CID 19084092
1,3,3-trimethylspiro[indole-2,2'-naphtho[2,1-f]chromene]
CID 19084395
(2R)-1,3,3,7'-tetramethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazin-7-ium]
CID 139200847
(2S)-1',3',3'-trimethyl-7-nitrospiro[chromene-2,2'-indole]
CID 40636806
(2S)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde
CID 139060476
N,N-diethyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-7-amine
CID 3952387
3,3,5',6'-tetramethyl-1-octylspiro[indole-2,2'-pyrano[3,2-b]pyridin-5-ium]
CID 177412428
1',3',3'-trimethyl-6-phenylmethoxyspiro[chromene-2,2'-indole]
CID 15339631
1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol
CID 19083901
ethane;1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
CID 157271788
2-phenyl-1-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)ethanone
CID 170091928
1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-c]quinoline]
CID 19084178

Frequently Asked Questions

What is the IUPAC name of 1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-b]pyridin-5-ium]?
The IUPAC name of 1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-b]pyridin-5-ium] (CID 102430118) is 1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-b]pyridin-5-ium].
What is the SMILES notation for 1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-b]pyridin-5-ium]?
The canonical SMILES for 1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-b]pyridin-5-ium] is CN1c2ccccc2C(C)(C)C12C=Cc1c(ccc[n+]1C)O2.
What is the InChIKey of 1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-b]pyridin-5-ium]?
The InChIKey is RKLHPCOAGUXISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N2O/c1-18(2)14-8-5-6-9-15(14)21(4)19(18)12-11-16-17(22-19)10-7-13-20(16)3/h5-13H,1-4H3/q+1.
What are the key properties of 1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-b]pyridin-5-ium]?
1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-b]pyridin-5-ium] has a molecular weight of 293.39 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-b]pyridin-5-ium] is sourced from PubChem (CID 102430118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).