(2S)-1',3',3'-trimethylspiro[chromene-2,2'-indole]

C19H19NO — CID 826554

IUPAC(2S)-1',3',3'-trimethylspiro[chromene-2,2'-indole]
SMILESCN1c2ccccc2C(C)(C)[C@@]12C=Cc1ccccc1O2
InChIInChI=1S/C19H19NO/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/h4-13H,1-3H3/t19-/m0/s1
InChIKeyCZTCZDFGLUDUQP-IBGZPJMESA-N
MW277.37 g/mol
LogP4.22
Rot. Bonds

About (2S)-1',3',3'-trimethylspiro[chromene-2,2'-indole]

(2S)-1',3',3'-trimethylspiro[chromene-2,2'-indole] (PubChem CID 826554) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is (2S)-1',3',3'-trimethylspiro[chromene-2,2'-indole].

Molecular Properties

Compound Name(2S)-1',3',3'-trimethylspiro[chromene-2,2'-indole]
PubChem CID826554
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name(2S)-1',3',3'-trimethylspiro[chromene-2,2'-indole]
SMILESCN1c2ccccc2C(C)(C)[C@@]12C=Cc1ccccc1O2
InChIInChI=1S/C19H19NO/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/h4-13H,1-3H3/t19-/m0/s1
InChIKeyCZTCZDFGLUDUQP-IBGZPJMESA-N
XLogP4.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
The IUPAC name of (2S)-1',3',3'-trimethylspiro[chromene-2,2'-indole] (CID 826554) is (2S)-1',3',3'-trimethylspiro[chromene-2,2'-indole].
What is the SMILES notation for (2S)-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
The canonical SMILES for (2S)-1',3',3'-trimethylspiro[chromene-2,2'-indole] is CN1c2ccccc2C(C)(C)[C@@]12C=Cc1ccccc1O2.
What is the InChIKey of (2S)-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
The InChIKey is CZTCZDFGLUDUQP-IBGZPJMESA-N. The full InChI is InChI=1S/C19H19NO/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/h4-13H,1-3H3/t19-/m0/s1.
What are the key properties of (2S)-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
(2S)-1',3',3'-trimethylspiro[chromene-2,2'-indole] has a molecular weight of 277.37 g/mol, XLogP of 4.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1',3',3'-trimethylspiro[chromene-2,2'-indole] is sourced from PubChem (CID 826554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).