tert-butyl N-[(1R)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate

C15H18N2O2 — CID 52938554

IUPACtert-butyl N-[(1R)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCc2c(C#N)cccc21
InChIInChI=1S/C15H18N2O2/c1-15(2,3)19-14(18)17-13-8-7-11-10(9-16)5-4-6-12(11)13/h4-6,13H,7-8H2,1-3H3,(H,17,18)/t13-/m1/s1
InChIKeyLBHMMDUJKBJVQI-CYBMUJFWSA-N
MW258.32 g/mol
LogP3.07
Rot. Bonds1

About tert-butyl N-[(1R)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate

tert-butyl N-[(1R)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate (PubChem CID 52938554) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is tert-butyl N-[(1R)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate
PubChem CID52938554
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Nametert-butyl N-[(1R)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCc2c(C#N)cccc21
InChIInChI=1S/C15H18N2O2/c1-15(2,3)19-14(18)17-13-8-7-11-10(9-16)5-4-6-12(11)13/h4-6,13H,7-8H2,1-3H3,(H,17,18)/t13-/m1/s1
InChIKeyLBHMMDUJKBJVQI-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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Related Compounds

tert-butyl N-[4-[5-(3-cyano-4-hydroxyphenyl)thiophen-2-yl]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 123472859
tert-butyl N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)thiophen-2-yl]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 58367241
tert-butyl N-[4-(aminomethyl)-5-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate
CID 83671430
1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 19433660
tert-butyl N-[(1R)-5-[5-[(5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
CID 164817450
tert-butyl N-(5,6,7,8-tetrahydroquinolin-5-yl)carbamate
CID 121334667
tert-butyl N-[(1R)-5-(N'-hydroxycarbamimidoyl)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
CID 123394794
tert-butyl N-[(1R)-5-[(Z)-N'-hydroxycarbamimidoyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
CID 140565327
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 129379453
5-[5-[(1S)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;tert-butyl N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]carbamate;methane
CID 160615929
tert-butyl N-(1-bromo-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl)carbamate
CID 67132756
tert-butyl N-[2-[(2-chloroacetyl)-[[(1S)-5-cyano-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]amino]ethyl]carbamate
CID 125499367

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate (CID 52938554) is tert-butyl N-[(1R)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCc2c(C#N)cccc21.
What is the InChIKey of tert-butyl N-[(1R)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate?
The InChIKey is LBHMMDUJKBJVQI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-15(2,3)19-14(18)17-13-8-7-11-10(9-16)5-4-6-12(11)13/h4-6,13H,7-8H2,1-3H3,(H,17,18)/t13-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate?
tert-butyl N-[(1R)-4-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)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate is sourced from PubChem (CID 52938554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).