tert-butyl N-(7-cyano-2,3-dihydro-1H-inden-1-yl)carbamate

C15H18N2O2 — CID 155973168

IUPACtert-butyl N-(7-cyano-2,3-dihydro-1H-inden-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCc2cccc(C#N)c21
InChIInChI=1S/C15H18N2O2/c1-15(2,3)19-14(18)17-12-8-7-10-5-4-6-11(9-16)13(10)12/h4-6,12H,7-8H2,1-3H3,(H,17,18)
InChIKeyYBEBUSACTKJCNX-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.07
Rot. Bonds1

About tert-butyl N-(7-cyano-2,3-dihydro-1H-inden-1-yl)carbamate

tert-butyl N-(7-cyano-2,3-dihydro-1H-inden-1-yl)carbamate (PubChem CID 155973168) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is tert-butyl N-(7-cyano-2,3-dihydro-1H-inden-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(7-cyano-2,3-dihydro-1H-inden-1-yl)carbamate
PubChem CID155973168
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Nametert-butyl N-(7-cyano-2,3-dihydro-1H-inden-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCc2cccc(C#N)c21
InChIInChI=1S/C15H18N2O2/c1-15(2,3)19-14(18)17-12-8-7-10-5-4-6-11(9-16)13(10)12/h4-6,12H,7-8H2,1-3H3,(H,17,18)
InChIKeyYBEBUSACTKJCNX-UHFFFAOYSA-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-[(1R)-2-cyano-1-phenylethyl]carbamate
CID 11459253
tert-butyl ((1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl)carbamate
CID 11299644
tert-butyl N-((2-cyanophenyl)methyl)carbamate
CID 23000612
tert-butyl N-((1S,2S)-2-amino-2,3-dihydro-1H-inden-1-yl)carbamate
CID 50999060
tert-butyl N-[(3-cyanophenyl)methyl]carbamate
CID 62313508
tert-butyl N-(5-cyano-2,3-dihydro-1H-inden-1-yl)carbamate
CID 69379444
tert-butyl N-[(1R)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 164886191
Carbamic acid, N-[(1S)-4-cyano-2,3-dihydro-1H-inden-1-yl]-, 1,1-dimethylethyl ester
CID 67312959
(Cyano-phenyl-methyl)-carbamic acid tert-butyl ester
CID 4231037
tert-butyl N-(2-cyano-1-phenylethyl)carbamate
CID 14413388
tert-butyl N-[2-(2-cyanophenyl)ethyl]carbamate
CID 23224674
tert-butyl N-[1-(3-cyanophenyl)ethyl]carbamate
CID 126806701

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(7-cyano-2,3-dihydro-1H-inden-1-yl)carbamate?
The IUPAC name of tert-butyl N-(7-cyano-2,3-dihydro-1H-inden-1-yl)carbamate (CID 155973168) is tert-butyl N-(7-cyano-2,3-dihydro-1H-inden-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-(7-cyano-2,3-dihydro-1H-inden-1-yl)carbamate?
The canonical SMILES for tert-butyl N-(7-cyano-2,3-dihydro-1H-inden-1-yl)carbamate is CC(C)(C)OC(=O)NC1CCc2cccc(C#N)c21.
What is the InChIKey of tert-butyl N-(7-cyano-2,3-dihydro-1H-inden-1-yl)carbamate?
The InChIKey is YBEBUSACTKJCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-15(2,3)19-14(18)17-12-8-7-10-5-4-6-11(9-16)13(10)12/h4-6,12H,7-8H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-(7-cyano-2,3-dihydro-1H-inden-1-yl)carbamate?
tert-butyl N-(7-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-(7-cyano-2,3-dihydro-1H-inden-1-yl)carbamate is sourced from PubChem (CID 155973168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).