(2'S)-1',2'-ditert-butylspiro[1,3-dihydroindene-2,4'-pyrrolidine]

C20H31N — CID 58850000

IUPAC(2'S)-1',2'-ditert-butylspiro[1,3-dihydroindene-2,4'-pyrrolidine]
SMILESCC(C)(C)[C@@H]1CC2(Cc3ccccc3C2)CN1C(C)(C)C
InChIInChI=1S/C20H31N/c1-18(2,3)17-13-20(14-21(17)19(4,5)6)11-15-9-7-8-10-16(15)12-20/h7-10,17H,11-14H2,1-6H3/t17-/m0/s1
InChIKeyPGBBOVGNNRFEKK-KRWDZBQOSA-N
MW285.47 g/mol
LogP4.69
Rot. Bonds

About (2'S)-1',2'-ditert-butylspiro[1,3-dihydroindene-2,4'-pyrrolidine]

(2'S)-1',2'-ditert-butylspiro[1,3-dihydroindene-2,4'-pyrrolidine] (PubChem CID 58850000) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is (2'S)-1',2'-ditert-butylspiro[1,3-dihydroindene-2,4'-pyrrolidine].

Molecular Properties

Compound Name(2'S)-1',2'-ditert-butylspiro[1,3-dihydroindene-2,4'-pyrrolidine]
PubChem CID58850000
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC Name(2'S)-1',2'-ditert-butylspiro[1,3-dihydroindene-2,4'-pyrrolidine]
SMILESCC(C)(C)[C@@H]1CC2(Cc3ccccc3C2)CN1C(C)(C)C
InChIInChI=1S/C20H31N/c1-18(2,3)17-13-20(14-21(17)19(4,5)6)11-15-9-7-8-10-16(15)12-20/h7-10,17H,11-14H2,1-6H3/t17-/m0/s1
InChIKeyPGBBOVGNNRFEKK-KRWDZBQOSA-N
XLogP4.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2'S)-1',2'-ditert-butylspiro[1,3-dihydroindene-2,4'-pyrrolidine]?
The IUPAC name of (2'S)-1',2'-ditert-butylspiro[1,3-dihydroindene-2,4'-pyrrolidine] (CID 58850000) is (2'S)-1',2'-ditert-butylspiro[1,3-dihydroindene-2,4'-pyrrolidine].
What is the SMILES notation for (2'S)-1',2'-ditert-butylspiro[1,3-dihydroindene-2,4'-pyrrolidine]?
The canonical SMILES for (2'S)-1',2'-ditert-butylspiro[1,3-dihydroindene-2,4'-pyrrolidine] is CC(C)(C)[C@@H]1CC2(Cc3ccccc3C2)CN1C(C)(C)C.
What is the InChIKey of (2'S)-1',2'-ditert-butylspiro[1,3-dihydroindene-2,4'-pyrrolidine]?
The InChIKey is PGBBOVGNNRFEKK-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H31N/c1-18(2,3)17-13-20(14-21(17)19(4,5)6)11-15-9-7-8-10-16(15)12-20/h7-10,17H,11-14H2,1-6H3/t17-/m0/s1.
What are the key properties of (2'S)-1',2'-ditert-butylspiro[1,3-dihydroindene-2,4'-pyrrolidine]?
(2'S)-1',2'-ditert-butylspiro[1,3-dihydroindene-2,4'-pyrrolidine] has a molecular weight of 285.47 g/mol, XLogP of 4.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S)-1',2'-ditert-butylspiro[1,3-dihydroindene-2,4'-pyrrolidine] is sourced from PubChem (CID 58850000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).