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

C14H19NO2 — CID 68618459

IUPACtert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCc2ccccc21
InChIInChI=1S/C14H19NO2/c1-14(2,3)17-13(16)15-12-9-8-10-6-4-5-7-11(10)12/h4-7,12H,8-9H2,1-3H3,(H,15,16)/t12-/m1/s1
InChIKeyUEJNEAIGIZTACB-GFCCVEGCSA-N
MW233.31 g/mol
LogP3.20
Rot. Bonds1

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

tert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]carbamate (PubChem CID 68618459) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is tert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]carbamate
PubChem CID68618459
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nametert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCc2ccccc21
InChIInChI=1S/C14H19NO2/c1-14(2,3)17-13(16)15-12-9-8-10-6-4-5-7-11(10)12/h4-7,12H,8-9H2,1-3H3,(H,15,16)/t12-/m1/s1
InChIKeyUEJNEAIGIZTACB-GFCCVEGCSA-N
XLogP3.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]carbamate (CID 68618459) is tert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCc2ccccc21.
What is the InChIKey of tert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]carbamate?
The InChIKey is UEJNEAIGIZTACB-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2,3)17-13(16)15-12-9-8-10-6-4-5-7-11(10)12/h4-7,12H,8-9H2,1-3H3,(H,15,16)/t12-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]carbamate?
tert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]carbamate has a molecular weight of 233.31 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]carbamate is sourced from PubChem (CID 68618459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).