1',3',3'-trimethylspiro[3,4-dihydrochromene-2,2'-indole]

C19H21NO — CID 101163614

IUPAC1',3',3'-trimethylspiro[3,4-dihydrochromene-2,2'-indole]
SMILESCN1c2ccccc2C(C)(C)C12CCc1ccccc1O2
InChIInChI=1S/C19H21NO/c1-18(2)15-9-5-6-10-16(15)20(3)19(18)13-12-14-8-4-7-11-17(14)21-19/h4-11H,12-13H2,1-3H3
InChIKeyDBRNEPUOMWNALQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.14
Rot. Bonds

About 1',3',3'-trimethylspiro[3,4-dihydrochromene-2,2'-indole]

1',3',3'-trimethylspiro[3,4-dihydrochromene-2,2'-indole] (PubChem CID 101163614) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1',3',3'-trimethylspiro[3,4-dihydrochromene-2,2'-indole].

Molecular Properties

Compound Name1',3',3'-trimethylspiro[3,4-dihydrochromene-2,2'-indole]
PubChem CID101163614
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1',3',3'-trimethylspiro[3,4-dihydrochromene-2,2'-indole]
SMILESCN1c2ccccc2C(C)(C)C12CCc1ccccc1O2
InChIInChI=1S/C19H21NO/c1-18(2)15-9-5-6-10-16(15)20(3)19(18)13-12-14-8-4-7-11-17(14)21-19/h4-11H,12-13H2,1-3H3
InChIKeyDBRNEPUOMWNALQ-UHFFFAOYSA-N
XLogP4.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1',3',3'-trimethylspiro[3,4-dihydrochromene-2,2'-indole]?
The IUPAC name of 1',3',3'-trimethylspiro[3,4-dihydrochromene-2,2'-indole] (CID 101163614) is 1',3',3'-trimethylspiro[3,4-dihydrochromene-2,2'-indole].
What is the SMILES notation for 1',3',3'-trimethylspiro[3,4-dihydrochromene-2,2'-indole]?
The canonical SMILES for 1',3',3'-trimethylspiro[3,4-dihydrochromene-2,2'-indole] is CN1c2ccccc2C(C)(C)C12CCc1ccccc1O2.
What is the InChIKey of 1',3',3'-trimethylspiro[3,4-dihydrochromene-2,2'-indole]?
The InChIKey is DBRNEPUOMWNALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-18(2)15-9-5-6-10-16(15)20(3)19(18)13-12-14-8-4-7-11-17(14)21-19/h4-11H,12-13H2,1-3H3.
What are the key properties of 1',3',3'-trimethylspiro[3,4-dihydrochromene-2,2'-indole]?
1',3',3'-trimethylspiro[3,4-dihydrochromene-2,2'-indole] has a molecular weight of 279.38 g/mol, XLogP of 4.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1',3',3'-trimethylspiro[3,4-dihydrochromene-2,2'-indole] is sourced from PubChem (CID 101163614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).