tert-butyl N-(6-cyano-2,3-dihydro-1H-inden-1-yl)carbamate

C15H18N2O2 — CID 130119913

IUPACtert-butyl N-(6-cyano-2,3-dihydro-1H-inden-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCc2ccc(C#N)cc21
InChIInChI=1S/C15H18N2O2/c1-15(2,3)19-14(18)17-13-7-6-11-5-4-10(9-16)8-12(11)13/h4-5,8,13H,6-7H2,1-3H3,(H,17,18)
InChIKeyBJMJBSYCJOHEOP-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.07
Rot. Bonds1

About tert-butyl N-(6-cyano-2,3-dihydro-1H-inden-1-yl)carbamate

tert-butyl N-(6-cyano-2,3-dihydro-1H-inden-1-yl)carbamate (PubChem CID 130119913) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is tert-butyl N-(6-cyano-2,3-dihydro-1H-inden-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-cyano-2,3-dihydro-1H-inden-1-yl)carbamate
PubChem CID130119913
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Nametert-butyl N-(6-cyano-2,3-dihydro-1H-inden-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCc2ccc(C#N)cc21
InChIInChI=1S/C15H18N2O2/c1-15(2,3)19-14(18)17-13-7-6-11-5-4-10(9-16)8-12(11)13/h4-5,8,13H,6-7H2,1-3H3,(H,17,18)
InChIKeyBJMJBSYCJOHEOP-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
Carbamic acid, N-[(1S)-4-cyano-2,3-dihydro-1H-inden-1-yl]-, 1,1-dimethylethyl ester
CID 67312959
tert-butyl N-(2-cyano-1-phenylethyl)carbamate
CID 14413388
tert-butyl N-[1-(3-cyanophenyl)ethyl]carbamate
CID 126806701
tert-butyl N-[(1-amino-2,3-dihydro-1H-inden-5-yl)methyl]carbamate hydrochloride
CID 137963950
tert-butyl N-{1,3-dihydrospiro[indene-2,4'-piperidin]-3-yl}carbamate hydrochloride
CID 154577396
tert-butyl N-(7-cyano-2,3-dihydro-1H-inden-1-yl)carbamate
CID 155973168

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-cyano-2,3-dihydro-1H-inden-1-yl)carbamate?
The IUPAC name of tert-butyl N-(6-cyano-2,3-dihydro-1H-inden-1-yl)carbamate (CID 130119913) is tert-butyl N-(6-cyano-2,3-dihydro-1H-inden-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-cyano-2,3-dihydro-1H-inden-1-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-cyano-2,3-dihydro-1H-inden-1-yl)carbamate is CC(C)(C)OC(=O)NC1CCc2ccc(C#N)cc21.
What is the InChIKey of tert-butyl N-(6-cyano-2,3-dihydro-1H-inden-1-yl)carbamate?
The InChIKey is BJMJBSYCJOHEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-15(2,3)19-14(18)17-13-7-6-11-5-4-10(9-16)8-12(11)13/h4-5,8,13H,6-7H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-(6-cyano-2,3-dihydro-1H-inden-1-yl)carbamate?
tert-butyl N-(6-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-(6-cyano-2,3-dihydro-1H-inden-1-yl)carbamate is sourced from PubChem (CID 130119913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).