tert-butyl N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]carbamate

C15H18N2O2 — CID 118990136

IUPACtert-butyl N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCc2cc(C#N)ccc21
InChIInChI=1S/C15H18N2O2/c1-15(2,3)19-14(18)17-13-7-5-11-8-10(9-16)4-6-12(11)13/h4,6,8,13H,5,7H2,1-3H3,(H,17,18)/t13-/m1/s1
InChIKeyMGRQZBYHVQSEQQ-CYBMUJFWSA-N
MW258.32 g/mol
LogP3.07
Rot. Bonds1

About tert-butyl N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]carbamate

tert-butyl N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]carbamate (PubChem CID 118990136) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is tert-butyl N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]carbamate
PubChem CID118990136
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Nametert-butyl N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCc2cc(C#N)ccc21
InChIInChI=1S/C15H18N2O2/c1-15(2,3)19-14(18)17-13-7-5-11-8-10(9-16)4-6-12(11)13/h4,6,8,13H,5,7H2,1-3H3,(H,17,18)/t13-/m1/s1
InChIKeyMGRQZBYHVQSEQQ-CYBMUJFWSA-N
XLogP3.07
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]carbamate (CID 118990136) is tert-butyl N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCc2cc(C#N)ccc21.
What is the InChIKey of tert-butyl N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]carbamate?
The InChIKey is MGRQZBYHVQSEQQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-15(2,3)19-14(18)17-13-7-5-11-8-10(9-16)4-6-12(11)13/h4,6,8,13H,5,7H2,1-3H3,(H,17,18)/t13-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]carbamate?
tert-butyl N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]carbamate has a molecular weight of 258.32 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]carbamate is sourced from PubChem (CID 118990136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).