1',3',3',7-tetramethylspiro[chromene-2,2'-indole]

C20H21NO — CID 19084355

IUPAC1',3',3',7-tetramethylspiro[chromene-2,2'-indole]
SMILESCc1ccc2c(c1)OC1(C=C2)N(C)c2ccccc2C1(C)C
InChIInChI=1S/C20H21NO/c1-14-9-10-15-11-12-20(22-18(15)13-14)19(2,3)16-7-5-6-8-17(16)21(20)4/h5-13H,1-4H3
InChIKeyACKZHSXKHSMTCV-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.52
Rot. Bonds

About 1',3',3',7-tetramethylspiro[chromene-2,2'-indole]

1',3',3',7-tetramethylspiro[chromene-2,2'-indole] (PubChem CID 19084355) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 1',3',3',7-tetramethylspiro[chromene-2,2'-indole].

Molecular Properties

Compound Name1',3',3',7-tetramethylspiro[chromene-2,2'-indole]
PubChem CID19084355
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name1',3',3',7-tetramethylspiro[chromene-2,2'-indole]
SMILESCc1ccc2c(c1)OC1(C=C2)N(C)c2ccccc2C1(C)C
InChIInChI=1S/C20H21NO/c1-14-9-10-15-11-12-20(22-18(15)13-14)19(2,3)16-7-5-6-8-17(16)21(20)4/h5-13H,1-4H3
InChIKeyACKZHSXKHSMTCV-UHFFFAOYSA-N
XLogP4.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1',3',3',7-tetramethylspiro[chromene-2,2'-indole]?
The IUPAC name of 1',3',3',7-tetramethylspiro[chromene-2,2'-indole] (CID 19084355) is 1',3',3',7-tetramethylspiro[chromene-2,2'-indole].
What is the SMILES notation for 1',3',3',7-tetramethylspiro[chromene-2,2'-indole]?
The canonical SMILES for 1',3',3',7-tetramethylspiro[chromene-2,2'-indole] is Cc1ccc2c(c1)OC1(C=C2)N(C)c2ccccc2C1(C)C.
What is the InChIKey of 1',3',3',7-tetramethylspiro[chromene-2,2'-indole]?
The InChIKey is ACKZHSXKHSMTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-14-9-10-15-11-12-20(22-18(15)13-14)19(2,3)16-7-5-6-8-17(16)21(20)4/h5-13H,1-4H3.
What are the key properties of 1',3',3',7-tetramethylspiro[chromene-2,2'-indole]?
1',3',3',7-tetramethylspiro[chromene-2,2'-indole] has a molecular weight of 291.39 g/mol, XLogP of 4.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1',3',3',7-tetramethylspiro[chromene-2,2'-indole] is sourced from PubChem (CID 19084355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).