tert-butyl N-(2-cyano-1,3-dihydroinden-2-yl)carbamate

C15H18N2O2 — CID 164650703

IUPACtert-butyl N-(2-cyano-1,3-dihydroinden-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1(C#N)Cc2ccccc2C1
InChIInChI=1S/C15H18N2O2/c1-14(2,3)19-13(18)17-15(10-16)8-11-6-4-5-7-12(11)9-15/h4-7H,8-9H2,1-3H3,(H,17,18)
InChIKeySTHXEQYVRYQWIH-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.57
Rot. Bonds1

About tert-butyl N-(2-cyano-1,3-dihydroinden-2-yl)carbamate

tert-butyl N-(2-cyano-1,3-dihydroinden-2-yl)carbamate (PubChem CID 164650703) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is tert-butyl N-(2-cyano-1,3-dihydroinden-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-cyano-1,3-dihydroinden-2-yl)carbamate
PubChem CID164650703
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Nametert-butyl N-(2-cyano-1,3-dihydroinden-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1(C#N)Cc2ccccc2C1
InChIInChI=1S/C15H18N2O2/c1-14(2,3)19-13(18)17-15(10-16)8-11-6-4-5-7-12(11)9-15/h4-7H,8-9H2,1-3H3,(H,17,18)
InChIKeySTHXEQYVRYQWIH-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

chloromethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dihydroindene-2-carboxylate
CID 165438952
tert-butyl N-(3-cyano-1-pyridin-2-ylpiperidin-3-yl)carbamate
CID 170991249
tert-butyl 4-cyano-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 136590338
dimethyl 7,15-bis[(2-methylpropan-2-yl)oxycarbonylamino]tetracyclo[7.7.2.05,17.013,18]octadeca-1(17),2,4,9,11,13(18)-hexaene-7,15-dicarboxylate
CID 100949582
1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
CID 2733195
tert-butyl N-[2-(5-amino-2-ethylphenyl)-1,3-dihydroinden-2-yl]carbamate
CID 18331441
tert-butyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate
CID 91387270
tert-butyl N-[2-(4-methylsulfanylpyrimidin-2-yl)-1,3-dihydroinden-2-yl]carbamate
CID 177175531
tert-butyl N-[1-(2-cyano-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propan-2-yl]carbamate
CID 173483368
tert-butyl N-(1-cyano-2,2-difluorocyclopropyl)carbamate
CID 45158925
tert-butyl N-[1-[(1-cyanocyclopropyl)carbamoyl]cycloheptyl]carbamate
CID 140895251
tert-butyl 3-cyano-3-(2-fluoroanilino)azetidine-1-carboxylate
CID 79303222

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-cyano-1,3-dihydroinden-2-yl)carbamate?
The IUPAC name of tert-butyl N-(2-cyano-1,3-dihydroinden-2-yl)carbamate (CID 164650703) is tert-butyl N-(2-cyano-1,3-dihydroinden-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-cyano-1,3-dihydroinden-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-cyano-1,3-dihydroinden-2-yl)carbamate is CC(C)(C)OC(=O)NC1(C#N)Cc2ccccc2C1.
What is the InChIKey of tert-butyl N-(2-cyano-1,3-dihydroinden-2-yl)carbamate?
The InChIKey is STHXEQYVRYQWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-14(2,3)19-13(18)17-15(10-16)8-11-6-4-5-7-12(11)9-15/h4-7H,8-9H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-(2-cyano-1,3-dihydroinden-2-yl)carbamate?
tert-butyl N-(2-cyano-1,3-dihydroinden-2-yl)carbamate has a molecular weight of 258.32 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-cyano-1,3-dihydroinden-2-yl)carbamate is sourced from PubChem (CID 164650703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).